2-[(4S)-4-amino-5,6-dioxo-6-[(2S)-pyrrolidin-2-yl]hexyl]guanidine

C11H21N5O2 — CID 57286216

IUPAC2-[(4S)-4-amino-5,6-dioxo-6-[(2S)-pyrrolidin-2-yl]hexyl]guanidine
SMILESNC(N)=NCCC[C@H](N)C(=O)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H21N5O2/c12-7(3-1-6-16-11(13)14)9(17)10(18)8-4-2-5-15-8/h7-8,15H,1-6,12H2,(H4,13,14,16)/t7-,8-/m0/s1
InChIKeyXXDYSSRPXWBQEG-YUMQZZPRSA-N
MW255.32 g/mol
LogP-1.74
Rot. Bonds7

About 2-[(4S)-4-amino-5,6-dioxo-6-[(2S)-pyrrolidin-2-yl]hexyl]guanidine

2-[(4S)-4-amino-5,6-dioxo-6-[(2S)-pyrrolidin-2-yl]hexyl]guanidine (PubChem CID 57286216) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 2-[(4S)-4-amino-5,6-dioxo-6-[(2S)-pyrrolidin-2-yl]hexyl]guanidine.

Molecular Properties

Compound Name2-[(4S)-4-amino-5,6-dioxo-6-[(2S)-pyrrolidin-2-yl]hexyl]guanidine
PubChem CID57286216
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name2-[(4S)-4-amino-5,6-dioxo-6-[(2S)-pyrrolidin-2-yl]hexyl]guanidine
SMILESNC(N)=NCCC[C@H](N)C(=O)C(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H21N5O2/c12-7(3-1-6-16-11(13)14)9(17)10(18)8-4-2-5-15-8/h7-8,15H,1-6,12H2,(H4,13,14,16)/t7-,8-/m0/s1
InChIKeyXXDYSSRPXWBQEG-YUMQZZPRSA-N
XLogP-1.74
TPSA136.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 5-1.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(4S)-4-amino-5,6-dioxo-6-[(2S)-pyrrolidin-2-yl]hexyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);(2S)-pyrrolidine-2-carboxylic acid
CID 118395312
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R)-2-amino-3-phenylpropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 20707860
2-amino-5-(diaminomethylideneamino)pentanoic acid;2-amino-3-methylbutanoic acid;2-amino-3-methylpentanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 174047828
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid
CID 10102216
2-[[5-(diaminomethylideneamino)-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]acetic acid
CID 18223443
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid
CID 145457566
2-[(4S)-4-amino-5-oxo-5-(3-oxoaziridin-2-yl)pentyl]guanidine
CID 139333846
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid;2-(hexadecanoylamino)acetic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 66667161
2-aminoacetic acid;(2-aminoacetyl) (2S)-2-amino-5-(diaminomethylideneamino)pentanoate;(2S)-2-aminobutanedioic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 173130795
[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] cyclopropanecarboxylate
CID 174904347
2-aminoacetic acid;(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid);(2S)-2-amino-3-[(2S)-pyrrolidine-2-carbonyl]oxypropanoic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70192000
2-[[2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]acetyl]amino]acetic acid
CID 175735485

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-amino-5,6-dioxo-6-[(2S)-pyrrolidin-2-yl]hexyl]guanidine?
The IUPAC name of 2-[(4S)-4-amino-5,6-dioxo-6-[(2S)-pyrrolidin-2-yl]hexyl]guanidine (CID 57286216) is 2-[(4S)-4-amino-5,6-dioxo-6-[(2S)-pyrrolidin-2-yl]hexyl]guanidine.
What is the SMILES notation for 2-[(4S)-4-amino-5,6-dioxo-6-[(2S)-pyrrolidin-2-yl]hexyl]guanidine?
The canonical SMILES for 2-[(4S)-4-amino-5,6-dioxo-6-[(2S)-pyrrolidin-2-yl]hexyl]guanidine is NC(N)=NCCC[C@H](N)C(=O)C(=O)[C@@H]1CCCN1.
What is the InChIKey of 2-[(4S)-4-amino-5,6-dioxo-6-[(2S)-pyrrolidin-2-yl]hexyl]guanidine?
The InChIKey is XXDYSSRPXWBQEG-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H21N5O2/c12-7(3-1-6-16-11(13)14)9(17)10(18)8-4-2-5-15-8/h7-8,15H,1-6,12H2,(H4,13,14,16)/t7-,8-/m0/s1.
What are the key properties of 2-[(4S)-4-amino-5,6-dioxo-6-[(2S)-pyrrolidin-2-yl]hexyl]guanidine?
2-[(4S)-4-amino-5,6-dioxo-6-[(2S)-pyrrolidin-2-yl]hexyl]guanidine has a molecular weight of 255.32 g/mol, XLogP of -1.74, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-amino-5,6-dioxo-6-[(2S)-pyrrolidin-2-yl]hexyl]guanidine is sourced from PubChem (CID 57286216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).