(2R)-2-amino(1,2,3-13C3)propan-1-ol

C3H9NO — CID 71309169

IUPAC(2R)-2-amino(1,2,3-13C3)propan-1-ol
SMILES[13CH3][13C@H](N)[13CH2]O
InChIInChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1/i1+1,2+1,3+1
InChIKeyBKMMTJMQCTUHRP-BQPNHLMHSA-N
MW78.09 g/mol
LogP-0.67
Rot. Bonds1

About (2R)-2-amino(1,2,3-13C3)propan-1-ol

(2R)-2-amino(1,2,3-13C3)propan-1-ol (PubChem CID 71309169) has the molecular formula C3H9NO and a molecular weight of 78.09 g/mol. Its IUPAC name is (2R)-2-amino(1,2,3-13C3)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino(1,2,3-13C3)propan-1-ol
PubChem CID71309169
Molecular FormulaC3H9NO
Molecular Weight78.09 g/mol
Exact Mass78.08
IUPAC Name(2R)-2-amino(1,2,3-13C3)propan-1-ol
SMILES[13CH3][13C@H](N)[13CH2]O
InChIInChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1/i1+1,2+1,3+1
InChIKeyBKMMTJMQCTUHRP-BQPNHLMHSA-N
XLogP-0.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.09
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Serinol
CID 68294
L-Alaninol
CID 80307
(R)-(-)-2-Amino-1-propanol
CID 80308
2-Aminopropanol
CID 5126
2-Amino-1-butanol
CID 22129
L-Valinol
CID 640993
2-Amino-1-butanol, (-)-
CID 2723856
3-Aminobutan-2-ol
CID 226831
2-Amino-1-pentanol
CID 249017
2-Amino-1-butanol, (+)-
CID 120084
3-Aminobutan-1-ol
CID 12202791
Valinol
CID 79019

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino(1,2,3-13C3)propan-1-ol?
The IUPAC name of (2R)-2-amino(1,2,3-13C3)propan-1-ol (CID 71309169) is (2R)-2-amino(1,2,3-13C3)propan-1-ol.
What is the SMILES notation for (2R)-2-amino(1,2,3-13C3)propan-1-ol?
The canonical SMILES for (2R)-2-amino(1,2,3-13C3)propan-1-ol is [13CH3][13C@H](N)[13CH2]O.
What is the InChIKey of (2R)-2-amino(1,2,3-13C3)propan-1-ol?
The InChIKey is BKMMTJMQCTUHRP-BQPNHLMHSA-N. The full InChI is InChI=1S/C3H9NO/c1-3(4)2-5/h3,5H,2,4H2,1H3/t3-/m0/s1/i1+1,2+1,3+1.
What are the key properties of (2R)-2-amino(1,2,3-13C3)propan-1-ol?
(2R)-2-amino(1,2,3-13C3)propan-1-ol has a molecular weight of 78.09 g/mol, XLogP of -0.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino(1,2,3-13C3)propan-1-ol is sourced from PubChem (CID 71309169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).