(2S)-2-amino-5-[[(4R)-4-methyl-5-oxoimidazolidin-2-ylidene]amino]pentanoic acid

C9H16N4O3 — CID 136869134

IUPAC(2S)-2-amino-5-[[(4R)-4-methyl-5-oxoimidazolidin-2-ylidene]amino]pentanoic acid
SMILESC[C@H]1N/C(=N\CCC[C@H](N)C(=O)O)NC1=O
InChIInChI=1S/C9H16N4O3/c1-5-7(14)13-9(12-5)11-4-2-3-6(10)8(15)16/h5-6H,2-4,10H2,1H3,(H,15,16)(H2,11,12,13,14)/t5-,6+/m1/s1
InChIKeyKGQMQNPFMOBJCY-RITPCOANSA-N
MW228.25 g/mol
LogP-1.36
Rot. Bonds5

About (2S)-2-amino-5-[[(4R)-4-methyl-5-oxoimidazolidin-2-ylidene]amino]pentanoic acid

(2S)-2-amino-5-[[(4R)-4-methyl-5-oxoimidazolidin-2-ylidene]amino]pentanoic acid (PubChem CID 136869134) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is (2S)-2-amino-5-[[(4R)-4-methyl-5-oxoimidazolidin-2-ylidene]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[[(4R)-4-methyl-5-oxoimidazolidin-2-ylidene]amino]pentanoic acid
PubChem CID136869134
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name(2S)-2-amino-5-[[(4R)-4-methyl-5-oxoimidazolidin-2-ylidene]amino]pentanoic acid
SMILESC[C@H]1N/C(=N\CCC[C@H](N)C(=O)O)NC1=O
InChIInChI=1S/C9H16N4O3/c1-5-7(14)13-9(12-5)11-4-2-3-6(10)8(15)16/h5-6H,2-4,10H2,1H3,(H,15,16)(H2,11,12,13,14)/t5-,6+/m1/s1
InChIKeyKGQMQNPFMOBJCY-RITPCOANSA-N
XLogP-1.36
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-6-[(4-methyl-5-oxoimidazolidin-2-ylidene)amino]hexanoic acid
CID 136912491
(2R)-2-amino-5-[(5,5-diethyl-4,6-dioxo-1,3-diazinan-2-ylidene)amino]pentanoic acid
CID 136736202
(2S)-2-amino-6-[(4,4-dimethyl-2,6-dioxocyclohexylidene)amino]hexanoic acid
CID 139557599
CID 59325926
CID 59325926
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
2,6-diaminoheptanedioic acid
CID 865
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2S)-2-amino-5-[[5-oxo-4-[(2R,3R)-2,3,4-trihydroxybutyl]imidazol-2-ylidene]amino]pentanoic acid
CID 136703965
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[(4R)-4-methyl-5-oxoimidazolidin-2-ylidene]amino]pentanoic acid?
The IUPAC name of (2S)-2-amino-5-[[(4R)-4-methyl-5-oxoimidazolidin-2-ylidene]amino]pentanoic acid (CID 136869134) is (2S)-2-amino-5-[[(4R)-4-methyl-5-oxoimidazolidin-2-ylidene]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[[(4R)-4-methyl-5-oxoimidazolidin-2-ylidene]amino]pentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[[(4R)-4-methyl-5-oxoimidazolidin-2-ylidene]amino]pentanoic acid is C[C@H]1N/C(=N\CCC[C@H](N)C(=O)O)NC1=O.
What is the InChIKey of (2S)-2-amino-5-[[(4R)-4-methyl-5-oxoimidazolidin-2-ylidene]amino]pentanoic acid?
The InChIKey is KGQMQNPFMOBJCY-RITPCOANSA-N. The full InChI is InChI=1S/C9H16N4O3/c1-5-7(14)13-9(12-5)11-4-2-3-6(10)8(15)16/h5-6H,2-4,10H2,1H3,(H,15,16)(H2,11,12,13,14)/t5-,6+/m1/s1.
What are the key properties of (2S)-2-amino-5-[[(4R)-4-methyl-5-oxoimidazolidin-2-ylidene]amino]pentanoic acid?
(2S)-2-amino-5-[[(4R)-4-methyl-5-oxoimidazolidin-2-ylidene]amino]pentanoic acid has a molecular weight of 228.25 g/mol, XLogP of -1.36, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[[(4R)-4-methyl-5-oxoimidazolidin-2-ylidene]amino]pentanoic acid is sourced from PubChem (CID 136869134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).