(2R)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanamide

C8H13N5O2 — CID 92523863

IUPAC(2R)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanamide
SMILESNCC(=O)N[C@H](Cc1cnc[nH]1)C(N)=O
InChIInChI=1S/C8H13N5O2/c9-2-7(14)13-6(8(10)15)1-5-3-11-4-12-5/h3-4,6H,1-2,9H2,(H2,10,15)(H,11,12)(H,13,14)/t6-/m1/s1
InChIKeyAULACEUJTNTLSY-ZCFIWIBFSA-N
MW211.22 g/mol
LogP-2.12
Rot. Bonds5

About (2R)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanamide

(2R)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanamide (PubChem CID 92523863) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is (2R)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanamide
PubChem CID92523863
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name(2R)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanamide
SMILESNCC(=O)N[C@H](Cc1cnc[nH]1)C(N)=O
InChIInChI=1S/C8H13N5O2/c9-2-7(14)13-6(8(10)15)1-5-3-11-4-12-5/h3-4,6H,1-2,9H2,(H2,10,15)(H,11,12)(H,13,14)/t6-/m1/s1
InChIKeyAULACEUJTNTLSY-ZCFIWIBFSA-N
XLogP-2.12
TPSA126.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-2.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-methylpentanamide
CID 70890007
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]butanedioic acid
CID 145455627
(2S)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 145455580
2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 135238695
3-[[2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-[[1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-4-oxobutanoic acid
CID 18487954
4-amino-2-[[4-amino-2-[[2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoic acid
CID 18487928
(2S)-2-hydrazinyl-3-(1H-imidazol-5-yl)propanamide
CID 18651854
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 71359752
2-[[2-[[2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 18488200
(4S)-4-[(2-aminoacetyl)amino]-5-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-5-oxopentanoic acid
CID 91975658
2-[[2-[[4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 18485684
(2S)-3-(1H-imidazol-5-yl)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoyl]amino]propanamide
CID 58213399

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanamide?
The IUPAC name of (2R)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanamide (CID 92523863) is (2R)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanamide is NCC(=O)N[C@H](Cc1cnc[nH]1)C(N)=O.
What is the InChIKey of (2R)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanamide?
The InChIKey is AULACEUJTNTLSY-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13N5O2/c9-2-7(14)13-6(8(10)15)1-5-3-11-4-12-5/h3-4,6H,1-2,9H2,(H2,10,15)(H,11,12)(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanamide?
(2R)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanamide has a molecular weight of 211.22 g/mol, XLogP of -2.12, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-aminoacetyl)amino]-3-(1H-imidazol-5-yl)propanamide is sourced from PubChem (CID 92523863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).