3-amino-N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]propanamide

C9H16N4O2 — CID 53261870

IUPAC3-amino-N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]propanamide
SMILESNCCC(=O)NC(CO)Cc1cnc[nH]1
InChIInChI=1S/C9H16N4O2/c10-2-1-9(15)13-8(5-14)3-7-4-11-6-12-7/h4,6,8,14H,1-3,5,10H2,(H,11,12)(H,13,15)
InChIKeyMGGMJJQALOBCSF-UHFFFAOYSA-N
MW212.25 g/mol
LogP-1.22
Rot. Bonds6

About 3-amino-N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]propanamide

3-amino-N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]propanamide (PubChem CID 53261870) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-amino-N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]propanamide.

Molecular Properties

Compound Name3-amino-N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]propanamide
PubChem CID53261870
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name3-amino-N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]propanamide
SMILESNCCC(=O)NC(CO)Cc1cnc[nH]1
InChIInChI=1S/C9H16N4O2/c10-2-1-9(15)13-8(5-14)3-7-4-11-6-12-7/h4,6,8,14H,1-3,5,10H2,(H,11,12)(H,13,15)
InChIKeyMGGMJJQALOBCSF-UHFFFAOYSA-N
XLogP-1.22
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

S-[(2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]sulfanyl (2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanethioate
CID 87745263
(2S)-2-[[(2S)-2-[[(2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 71587844
(2-methylprop-2-enoylamino) (2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoate
CID 175324960
(2S)-2-(3-aminopropanoylamino)-N-hexyl-3-(1H-imidazol-5-yl)propanamide
CID 50942618
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
2-[[2-[[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]amino]-2-oxoethyl]-(3-phenylpropyl)amino]acetic acid
CID 67421276
(2S)-2-(3-hydroxypropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 14308140
N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]-3-naphthalen-1-yl-2-(naphthalen-1-ylmethyl)propanamide
CID 19593545
(2R)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanamide
CID 92523863
O-[(2R)-2-acetamido-3-amino-3-oxopropyl] 2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanethioate
CID 140787071
2-(3-aminopropanoylamino)-2-(1H-imidazol-5-yl)acetic acid
CID 10176709
N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-methylpentanamide
CID 70890007

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]propanamide?
The IUPAC name of 3-amino-N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]propanamide (CID 53261870) is 3-amino-N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]propanamide.
What is the SMILES notation for 3-amino-N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]propanamide?
The canonical SMILES for 3-amino-N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]propanamide is NCCC(=O)NC(CO)Cc1cnc[nH]1.
What is the InChIKey of 3-amino-N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]propanamide?
The InChIKey is MGGMJJQALOBCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c10-2-1-9(15)13-8(5-14)3-7-4-11-6-12-7/h4,6,8,14H,1-3,5,10H2,(H,11,12)(H,13,15).
What are the key properties of 3-amino-N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]propanamide?
3-amino-N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]propanamide has a molecular weight of 212.25 g/mol, XLogP of -1.22, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]propanamide is sourced from PubChem (CID 53261870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).