2-(3-aminopropanoylamino)-2-(1H-imidazol-5-yl)acetic acid

C8H12N4O3 — CID 10176709

IUPAC2-(3-aminopropanoylamino)-2-(1H-imidazol-5-yl)acetic acid
SMILESNCCC(=O)NC(C(=O)O)c1cnc[nH]1
InChIInChI=1S/C8H12N4O3/c9-2-1-6(13)12-7(8(14)15)5-3-10-4-11-5/h3-4,7H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyOLOFPRIPQRHDCE-UHFFFAOYSA-N
MW212.21 g/mol
LogP-1.00
Rot. Bonds5

About 2-(3-aminopropanoylamino)-2-(1H-imidazol-5-yl)acetic acid

2-(3-aminopropanoylamino)-2-(1H-imidazol-5-yl)acetic acid (PubChem CID 10176709) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-(3-aminopropanoylamino)-2-(1H-imidazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-aminopropanoylamino)-2-(1H-imidazol-5-yl)acetic acid
PubChem CID10176709
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name2-(3-aminopropanoylamino)-2-(1H-imidazol-5-yl)acetic acid
SMILESNCCC(=O)NC(C(=O)O)c1cnc[nH]1
InChIInChI=1S/C8H12N4O3/c9-2-1-6(13)12-7(8(14)15)5-3-10-4-11-5/h3-4,7H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15)
InChIKeyOLOFPRIPQRHDCE-UHFFFAOYSA-N
XLogP-1.00
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid
CID 20699086
2-(3-aminopropanoylamino)-2-phenylacetic acid
CID 61159354
3-amino-N-[1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]propanamide
CID 53261870
(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
S-[(2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]sulfanyl (2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanethioate
CID 87745263
N-[3-amino-1-(1H-imidazol-5-yl)-3-oxopropyl]-4-phenylbutanamide
CID 174518541
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
5-amino-3-(1H-imidazol-5-yl)-2-(octanoylamino)-4-oxohexanoic acid
CID 90422441
(2S)-2-(4-aminobutanoylamino)-3-(1H-imidazol-5-yl)propanoic acid;2,2,2-trifluoroacetic acid
CID 162640588
3,3,3-trifluoro-1-(1H-imidazol-5-yl)propan-1-amine
CID 82409786
2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride
CID 67550386
(2R,3S)-3-amino-3-(1H-imidazol-5-yl)-2-[3-(4-methoxyphenyl)propanoylamino]propanoic acid
CID 68941113

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropanoylamino)-2-(1H-imidazol-5-yl)acetic acid?
The IUPAC name of 2-(3-aminopropanoylamino)-2-(1H-imidazol-5-yl)acetic acid (CID 10176709) is 2-(3-aminopropanoylamino)-2-(1H-imidazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-aminopropanoylamino)-2-(1H-imidazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-aminopropanoylamino)-2-(1H-imidazol-5-yl)acetic acid is NCCC(=O)NC(C(=O)O)c1cnc[nH]1.
What is the InChIKey of 2-(3-aminopropanoylamino)-2-(1H-imidazol-5-yl)acetic acid?
The InChIKey is OLOFPRIPQRHDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c9-2-1-6(13)12-7(8(14)15)5-3-10-4-11-5/h3-4,7H,1-2,9H2,(H,10,11)(H,12,13)(H,14,15).
What are the key properties of 2-(3-aminopropanoylamino)-2-(1H-imidazol-5-yl)acetic acid?
2-(3-aminopropanoylamino)-2-(1H-imidazol-5-yl)acetic acid has a molecular weight of 212.21 g/mol, XLogP of -1.00, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropanoylamino)-2-(1H-imidazol-5-yl)acetic acid is sourced from PubChem (CID 10176709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).