(3S)-3-amino-3-(5-methyl-1H-imidazol-2-yl)propan-1-ol

C7H13N3O — CID 96735034

IUPAC(3S)-3-amino-3-(5-methyl-1H-imidazol-2-yl)propan-1-ol
SMILESCc1cnc([C@@H](N)CCO)[nH]1
InChIInChI=1S/C7H13N3O/c1-5-4-9-7(10-5)6(8)2-3-11/h4,6,11H,2-3,8H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyKLSGPVDSQWPZLM-LURJTMIESA-N
MW155.20 g/mol
LogP0.10
Rot. Bonds3

About (3S)-3-amino-3-(5-methyl-1H-imidazol-2-yl)propan-1-ol

(3S)-3-amino-3-(5-methyl-1H-imidazol-2-yl)propan-1-ol (PubChem CID 96735034) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (3S)-3-amino-3-(5-methyl-1H-imidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name(3S)-3-amino-3-(5-methyl-1H-imidazol-2-yl)propan-1-ol
PubChem CID96735034
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(3S)-3-amino-3-(5-methyl-1H-imidazol-2-yl)propan-1-ol
SMILESCc1cnc([C@@H](N)CCO)[nH]1
InChIInChI=1S/C7H13N3O/c1-5-4-9-7(10-5)6(8)2-3-11/h4,6,11H,2-3,8H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyKLSGPVDSQWPZLM-LURJTMIESA-N
XLogP0.10
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(5-methyl-1H-imidazol-2-yl)propan-1-ol?
The IUPAC name of (3S)-3-amino-3-(5-methyl-1H-imidazol-2-yl)propan-1-ol (CID 96735034) is (3S)-3-amino-3-(5-methyl-1H-imidazol-2-yl)propan-1-ol.
What is the SMILES notation for (3S)-3-amino-3-(5-methyl-1H-imidazol-2-yl)propan-1-ol?
The canonical SMILES for (3S)-3-amino-3-(5-methyl-1H-imidazol-2-yl)propan-1-ol is Cc1cnc([C@@H](N)CCO)[nH]1.
What is the InChIKey of (3S)-3-amino-3-(5-methyl-1H-imidazol-2-yl)propan-1-ol?
The InChIKey is KLSGPVDSQWPZLM-LURJTMIESA-N. The full InChI is InChI=1S/C7H13N3O/c1-5-4-9-7(10-5)6(8)2-3-11/h4,6,11H,2-3,8H2,1H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (3S)-3-amino-3-(5-methyl-1H-imidazol-2-yl)propan-1-ol?
(3S)-3-amino-3-(5-methyl-1H-imidazol-2-yl)propan-1-ol has a molecular weight of 155.20 g/mol, XLogP of 0.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(5-methyl-1H-imidazol-2-yl)propan-1-ol is sourced from PubChem (CID 96735034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).