(2S)-2-amino-6-[(4-methyl-5-oxoimidazolidin-2-ylidene)amino]hexanoic acid

C10H18N4O3 — CID 136912491

IUPAC(2S)-2-amino-6-[(4-methyl-5-oxoimidazolidin-2-ylidene)amino]hexanoic acid
SMILESCC1N/C(=N\CCCC[C@H](N)C(=O)O)NC1=O
InChIInChI=1S/C10H18N4O3/c1-6-8(15)14-10(13-6)12-5-3-2-4-7(11)9(16)17/h6-7H,2-5,11H2,1H3,(H,16,17)(H2,12,13,14,15)/t6?,7-/m0/s1
InChIKeyOVMUYWYUNKJFMY-MLWJPKLSSA-N
MW242.28 g/mol
LogP-0.97
Rot. Bonds6

About (2S)-2-amino-6-[(4-methyl-5-oxoimidazolidin-2-ylidene)amino]hexanoic acid

(2S)-2-amino-6-[(4-methyl-5-oxoimidazolidin-2-ylidene)amino]hexanoic acid (PubChem CID 136912491) has the molecular formula C10H18N4O3 and a molecular weight of 242.28 g/mol. Its IUPAC name is (2S)-2-amino-6-[(4-methyl-5-oxoimidazolidin-2-ylidene)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-6-[(4-methyl-5-oxoimidazolidin-2-ylidene)amino]hexanoic acid
PubChem CID136912491
Molecular FormulaC10H18N4O3
Molecular Weight242.28 g/mol
Exact Mass242.14
IUPAC Name(2S)-2-amino-6-[(4-methyl-5-oxoimidazolidin-2-ylidene)amino]hexanoic acid
SMILESCC1N/C(=N\CCCC[C@H](N)C(=O)O)NC1=O
InChIInChI=1S/C10H18N4O3/c1-6-8(15)14-10(13-6)12-5-3-2-4-7(11)9(16)17/h6-7H,2-5,11H2,1H3,(H,16,17)(H2,12,13,14,15)/t6?,7-/m0/s1
InChIKeyOVMUYWYUNKJFMY-MLWJPKLSSA-N
XLogP-0.97
TPSA116.81 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 5-0.97
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-5-[[(4R)-4-methyl-5-oxoimidazolidin-2-ylidene]amino]pentanoic acid
CID 136869134
(2S)-2-amino-6-[(4,4-dimethyl-2,6-dioxocyclohexylidene)amino]hexanoic acid
CID 139557599
(2R)-2-amino-5-[(5,5-diethyl-4,6-dioxo-1,3-diazinan-2-ylidene)amino]pentanoic acid
CID 136736202
(2S,7S)-2,7-diaminooctanedioic acid
CID 7033159
(2R,8R)-2,8-diaminononanedioic acid
CID 6994849
(2S)-2-amino-6-(aminodiazenyl)hexanoic acid
CID 130351235
2,6-diaminoheptanedioic acid
CID 865
(2S)-2-amino-6-(1-carboxypropylideneamino)hexanoic acid
CID 154571990
2-aminotetracosanoic acid
CID 88730229
(2S)-2-aminododecanoic acid
CID 10560640
(2S)-2-aminopentacosanoic acid
CID 158815459
2-amino-21-methyldocosanoic acid
CID 10926747

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-[(4-methyl-5-oxoimidazolidin-2-ylidene)amino]hexanoic acid?
The IUPAC name of (2S)-2-amino-6-[(4-methyl-5-oxoimidazolidin-2-ylidene)amino]hexanoic acid (CID 136912491) is (2S)-2-amino-6-[(4-methyl-5-oxoimidazolidin-2-ylidene)amino]hexanoic acid.
What is the SMILES notation for (2S)-2-amino-6-[(4-methyl-5-oxoimidazolidin-2-ylidene)amino]hexanoic acid?
The canonical SMILES for (2S)-2-amino-6-[(4-methyl-5-oxoimidazolidin-2-ylidene)amino]hexanoic acid is CC1N/C(=N\CCCC[C@H](N)C(=O)O)NC1=O.
What is the InChIKey of (2S)-2-amino-6-[(4-methyl-5-oxoimidazolidin-2-ylidene)amino]hexanoic acid?
The InChIKey is OVMUYWYUNKJFMY-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H18N4O3/c1-6-8(15)14-10(13-6)12-5-3-2-4-7(11)9(16)17/h6-7H,2-5,11H2,1H3,(H,16,17)(H2,12,13,14,15)/t6?,7-/m0/s1.
What are the key properties of (2S)-2-amino-6-[(4-methyl-5-oxoimidazolidin-2-ylidene)amino]hexanoic acid?
(2S)-2-amino-6-[(4-methyl-5-oxoimidazolidin-2-ylidene)amino]hexanoic acid has a molecular weight of 242.28 g/mol, XLogP of -0.97, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-[(4-methyl-5-oxoimidazolidin-2-ylidene)amino]hexanoic acid is sourced from PubChem (CID 136912491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).