(4S)-4-amino-5-[1-(1H-imidazol-2-yl)ethylamino]-5-oxopentanoic acid

C10H16N4O3 — CID 90332294

IUPAC(4S)-4-amino-5-[1-(1H-imidazol-2-yl)ethylamino]-5-oxopentanoic acid
SMILESCC(NC(=O)[C@@H](N)CCC(=O)O)c1ncc[nH]1
InChIInChI=1S/C10H16N4O3/c1-6(9-12-4-5-13-9)14-10(17)7(11)2-3-8(15)16/h4-7H,2-3,11H2,1H3,(H,12,13)(H,14,17)(H,15,16)/t6?,7-/m0/s1
InChIKeyVDKVZHLKFOQAKN-MLWJPKLSSA-N
MW240.26 g/mol
LogP-0.22
Rot. Bonds6

About (4S)-4-amino-5-[1-(1H-imidazol-2-yl)ethylamino]-5-oxopentanoic acid

(4S)-4-amino-5-[1-(1H-imidazol-2-yl)ethylamino]-5-oxopentanoic acid (PubChem CID 90332294) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is (4S)-4-amino-5-[1-(1H-imidazol-2-yl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-[1-(1H-imidazol-2-yl)ethylamino]-5-oxopentanoic acid
PubChem CID90332294
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name(4S)-4-amino-5-[1-(1H-imidazol-2-yl)ethylamino]-5-oxopentanoic acid
SMILESCC(NC(=O)[C@@H](N)CCC(=O)O)c1ncc[nH]1
InChIInChI=1S/C10H16N4O3/c1-6(9-12-4-5-13-9)14-10(17)7(11)2-3-8(15)16/h4-7H,2-3,11H2,1H3,(H,12,13)(H,14,17)(H,15,16)/t6?,7-/m0/s1
InChIKeyVDKVZHLKFOQAKN-MLWJPKLSSA-N
XLogP-0.22
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-4-Amino-5-((2-(1H-imidazol-4-yl)ethyl)amino)-5-oxopentanoic acid
CID 10220386
(S)-2-amino-5-(imidazol-2-ylamino)pentanoic acid
CID 46237587
4-(1H-imidazol-2-yl)butanoic acid hydrochloride
CID 53230925
(R)-2-Amino-5-[N''-(1H-imidazol-2-ylmethyl)-guanidino]-pentanoic acid
CID 44331525
(2R)-2-amino-5-[[amino-[2-(1H-imidazol-2-yl)ethylamino]methylidene]amino]pentanoic acid
CID 44331546
4-(1H-Imidazol-2-YL)butanoic acid
CID 22413245
(4S)-4-amino-1-[3-(2-ethyl-1H-imidazol-1-yl)propanoyl]-L-proline
CID 70748216
4-amino-5-[2-(1H-imidazol-5-yl)ethylamino]-5-oxopentanoic acid
CID 15234230
2-amino-6-[[2-[(4-amino-4-carboxybutyl)amino]-1H-imidazol-5-yl]amino]hexanoic acid
CID 54528633
5-[3-(1H-imidazol-3-ium-3-yl)propylamino]-5-oxopentanoic acid
CID 139212099
2-ethyl-5-[3-(1H-imidazol-3-ium-3-yl)propylamino]-4-methyl-5-oxopentanoic acid
CID 139244410
Einecs 285-738-3
CID 119057813

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-[1-(1H-imidazol-2-yl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of (4S)-4-amino-5-[1-(1H-imidazol-2-yl)ethylamino]-5-oxopentanoic acid (CID 90332294) is (4S)-4-amino-5-[1-(1H-imidazol-2-yl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-[1-(1H-imidazol-2-yl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for (4S)-4-amino-5-[1-(1H-imidazol-2-yl)ethylamino]-5-oxopentanoic acid is CC(NC(=O)[C@@H](N)CCC(=O)O)c1ncc[nH]1.
What is the InChIKey of (4S)-4-amino-5-[1-(1H-imidazol-2-yl)ethylamino]-5-oxopentanoic acid?
The InChIKey is VDKVZHLKFOQAKN-MLWJPKLSSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6(9-12-4-5-13-9)14-10(17)7(11)2-3-8(15)16/h4-7H,2-3,11H2,1H3,(H,12,13)(H,14,17)(H,15,16)/t6?,7-/m0/s1.
What are the key properties of (4S)-4-amino-5-[1-(1H-imidazol-2-yl)ethylamino]-5-oxopentanoic acid?
(4S)-4-amino-5-[1-(1H-imidazol-2-yl)ethylamino]-5-oxopentanoic acid has a molecular weight of 240.26 g/mol, XLogP of -0.22, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-[1-(1H-imidazol-2-yl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 90332294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).