D-Histidine

C6H9N3O2 — CID 71083

IUPAC(2R)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
SMILESC1=C(NC=N1)C[C@H](C(=O)O)N
InChIInChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m1/s1
InChIKeyHNDVDQJCIGZPNO-RXMQYKEDSA-N
MW155.15 g/mol
LogP-3.20
Rot. Bonds3

About D-Histidine

D-Histidine (PubChem CID 71083) has the molecular formula C6H9N3O2 and a molecular weight of 155.15 g/mol. Its IUPAC name is (2R)-2-amino-3-(1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound NameD-Histidine
PubChem CID71083
Molecular FormulaC6H9N3O2
Molecular Weight155.15 g/mol
Exact Mass155.07
IUPAC Name(2R)-2-amino-3-(1H-imidazol-5-yl)propanoic acid
SMILESC1=C(NC=N1)C[C@H](C(=O)O)N
InChIInChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m1/s1
InChIKeyHNDVDQJCIGZPNO-RXMQYKEDSA-N
XLogP-3.20
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity151

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-3.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze D-Histidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

L-Histidine
CID 6274
Carnosine
CID 439224
L-Histidinol
CID 165271
3-Methyl-L-Histidine
CID 64969
1H-Imidazole-5-propanoic acid
CID 70630
1-Methyl-L-histidine
CID 92105
Anserine
CID 112072
(2S)-2-ammonio-3-(1H-imidazol-4-yl)propanoate
CID 6971009
Histidine Monohydrochloride
CID 66091
DL-histidine
CID 773
(alphaS)-alpha-Amino-1H-imidazole-5-propanal
CID 152657
Polaprezinc
CID 9817450

Frequently Asked Questions

What is the IUPAC name of D-Histidine?
The IUPAC name of D-Histidine (CID 71083) is (2R)-2-amino-3-(1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for D-Histidine?
The canonical SMILES for D-Histidine is C1=C(NC=N1)C[C@H](C(=O)O)N.
What is the InChIKey of D-Histidine?
The InChIKey is HNDVDQJCIGZPNO-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)/t5-/m1/s1.
What are the key properties of D-Histidine?
D-Histidine has a molecular weight of 155.15 g/mol, XLogP of -3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for D-Histidine is sourced from PubChem (CID 71083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).