(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-(1H-imidazol-5-yl)propanamide

C9H16N4O3 — CID 11550389

IUPAC(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-(1H-imidazol-5-yl)propanamide
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)NCC(O)CO
InChIInChI=1S/C9H16N4O3/c10-8(1-6-2-11-5-13-6)9(16)12-3-7(15)4-14/h2,5,7-8,14-15H,1,3-4,10H2,(H,11,13)(H,12,16)/t7?,8-/m0/s1
InChIKeyZBFPVQXSEDDXLC-MQWKRIRWSA-N
MW228.25 g/mol
LogP-2.25
Rot. Bonds6

About (2S)-2-amino-N-(2,3-dihydroxypropyl)-3-(1H-imidazol-5-yl)propanamide

(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-(1H-imidazol-5-yl)propanamide (PubChem CID 11550389) has the molecular formula C9H16N4O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,3-dihydroxypropyl)-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-(1H-imidazol-5-yl)propanamide
PubChem CID11550389
Molecular FormulaC9H16N4O3
Molecular Weight228.25 g/mol
Exact Mass228.12
IUPAC Name(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-(1H-imidazol-5-yl)propanamide
SMILESN[C@@H](Cc1cnc[nH]1)C(=O)NCC(O)CO
InChIInChI=1S/C9H16N4O3/c10-8(1-6-2-11-5-13-6)9(16)12-3-7(15)4-14/h2,5,7-8,14-15H,1,3-4,10H2,(H,11,13)(H,12,16)/t7?,8-/m0/s1
InChIKeyZBFPVQXSEDDXLC-MQWKRIRWSA-N
XLogP-2.25
TPSA124.26 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-2.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-(3-aminopropyl)-3-(1H-imidazol-5-yl)propanamide
CID 67571460
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-(2-methoxyethyl)propanamide
CID 68976310
(2S)-2-amino-3-(1H-imidazol-5-yl)-N-(3-methylsulfanylpropyl)propanamide
CID 171776509
(2S)-2-amino-N-dodecyl-3-(1H-imidazol-5-yl)propanamide
CID 10805811
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;gallane
CID 173470688
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124498
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;mercury
CID 174719517
2-amino-3-(1H-imidazol-5-yl)propanoic acid;molybdenum
CID 174573236
2-amino-3-(1H-imidazol-5-yl)propanoic acid;titanium
CID 88748580
2-amino-3-(1H-imidazol-5-yl)propanoic acid;sulfane
CID 158124499
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;formaldehyde
CID 67449717

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,3-dihydroxypropyl)-3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2,3-dihydroxypropyl)-3-(1H-imidazol-5-yl)propanamide (CID 11550389) is (2S)-2-amino-N-(2,3-dihydroxypropyl)-3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,3-dihydroxypropyl)-3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2,3-dihydroxypropyl)-3-(1H-imidazol-5-yl)propanamide is N[C@@H](Cc1cnc[nH]1)C(=O)NCC(O)CO.
What is the InChIKey of (2S)-2-amino-N-(2,3-dihydroxypropyl)-3-(1H-imidazol-5-yl)propanamide?
The InChIKey is ZBFPVQXSEDDXLC-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H16N4O3/c10-8(1-6-2-11-5-13-6)9(16)12-3-7(15)4-14/h2,5,7-8,14-15H,1,3-4,10H2,(H,11,13)(H,12,16)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,3-dihydroxypropyl)-3-(1H-imidazol-5-yl)propanamide?
(2S)-2-amino-N-(2,3-dihydroxypropyl)-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 228.25 g/mol, XLogP of -2.25, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,3-dihydroxypropyl)-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 11550389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).