2-amino-3-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid

C6H12N4O2 — CID 66601524

IUPAC2-amino-3-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid
SMILESNC(CNC1=NCCN1)C(=O)O
InChIInChI=1S/C6H12N4O2/c7-4(5(11)12)3-10-6-8-1-2-9-6/h4H,1-3,7H2,(H,11,12)(H2,8,9,10)
InChIKeyBTNVFZRVICAVBQ-UHFFFAOYSA-N
MW172.19 g/mol
LogP-2.05
Rot. Bonds3

About 2-amino-3-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid

2-amino-3-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid (PubChem CID 66601524) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-amino-3-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid
PubChem CID66601524
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name2-amino-3-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid
SMILESNC(CNC1=NCCN1)C(=O)O
InChIInChI=1S/C6H12N4O2/c7-4(5(11)12)3-10-6-8-1-2-9-6/h4H,1-3,7H2,(H,11,12)(H2,8,9,10)
InChIKeyBTNVFZRVICAVBQ-UHFFFAOYSA-N
XLogP-2.05
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-2.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Imidazole-4-acetic acid, 2-amino-4,5-dihydro-
CID 155246
n-(4,5-Dihydro-1h-imidazol-2-yl)alanine
CID 3154175
beta-Alanine, N-(4,5-dihydro-1H-imidazol-2-yl)-
CID 152768
2-(2-amino-4,5-dihydro-1H-imidazol-4-yl)acetic acid
CID 135887949
2-[(5R)-2-amino-4,5-dihydro-1H-imidazol-5-yl]acetic acid
CID 55287481
2-(4,5-Dihydro-1H-imidazol-2-ylamino)-butyric acid
CID 256337
2-Amino-4,5-dihydro-1H-imidazole-5-carboxylic acid
CID 21519907
methyl 2-amino-3-[(N,N'-dimethylcarbamimidoyl)amino]propanoate
CID 59888387
2-amino-4-(4,5-dihydro-1H-imidazol-2-ylamino)butanoic acid
CID 66601966
2-amino-4,5-dihydro-1H-imidazole-5-carboxylic acid;hydrochloride
CID 68131331
(2S)-2-amino-3-[(N-methyl-C-pyrrolidin-1-ylcarbonimidoyl)amino]propanoic acid
CID 129141685
2-aminoacetic acid;5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 145152396

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid?
The IUPAC name of 2-amino-3-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid (CID 66601524) is 2-amino-3-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid.
What is the SMILES notation for 2-amino-3-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid?
The canonical SMILES for 2-amino-3-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid is NC(CNC1=NCCN1)C(=O)O.
What is the InChIKey of 2-amino-3-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid?
The InChIKey is BTNVFZRVICAVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c7-4(5(11)12)3-10-6-8-1-2-9-6/h4H,1-3,7H2,(H,11,12)(H2,8,9,10).
What are the key properties of 2-amino-3-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid?
2-amino-3-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid has a molecular weight of 172.19 g/mol, XLogP of -2.05, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4,5-dihydro-1H-imidazol-2-ylamino)propanoic acid is sourced from PubChem (CID 66601524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).