(2R)-2-hydroxy-3-[hydroxy(propan-2-yl)amino]propanoic acid

C6H13NO4 — CID 130198796

IUPAC(2R)-2-hydroxy-3-[hydroxy(propan-2-yl)amino]propanoic acid
SMILESCC(C)N(O)C[C@@H](O)C(=O)O
InChIInChI=1S/C6H13NO4/c1-4(2)7(11)3-5(8)6(9)10/h4-5,8,11H,3H2,1-2H3,(H,9,10)/t5-/m1/s1
InChIKeyWGYYDRDBOSENRN-RXMQYKEDSA-N
MW163.17 g/mol
LogP-0.47
Rot. Bonds4

About (2R)-2-hydroxy-3-[hydroxy(propan-2-yl)amino]propanoic acid

(2R)-2-hydroxy-3-[hydroxy(propan-2-yl)amino]propanoic acid (PubChem CID 130198796) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is (2R)-2-hydroxy-3-[hydroxy(propan-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-3-[hydroxy(propan-2-yl)amino]propanoic acid
PubChem CID130198796
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(2R)-2-hydroxy-3-[hydroxy(propan-2-yl)amino]propanoic acid
SMILESCC(C)N(O)C[C@@H](O)C(=O)O
InChIInChI=1S/C6H13NO4/c1-4(2)7(11)3-5(8)6(9)10/h4-5,8,11H,3H2,1-2H3,(H,9,10)/t5-/m1/s1
InChIKeyWGYYDRDBOSENRN-RXMQYKEDSA-N
XLogP-0.47
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-17-methyloctadecanoic acid
CID 23427391
2,5-dihydroxyhexanoic acid
CID 18424665
Pentanoic acid, 2-hydroxy-4-methyl-, calcium salt (2:1)
CID 156593906
dilithium;hydride;2-hydroxypropanoic acid
CID 174731520
(2S)-2-hydroxy-3-methylsulfonylpropanoic acid
CID 88603665
4-chloro-2-hydroxypentanoic acid
CID 20550476
2-hydroxypropanoic acid
CID 87075455
(2R,4R)-2,5-dihydroxy-4-methylpentanoic acid
CID 141248339
N,N-dimethylmethanamine;2-hydroxypropanoic acid
CID 173198650
N-ethyl-N-propan-2-ylhydroxylamine
CID 15055159
2,3-dihydroxypropanoic acid
CID 175601105
(2S)-2-hydroxy-3-methylsulfanylpropanoic acid
CID 59794223

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-3-[hydroxy(propan-2-yl)amino]propanoic acid?
The IUPAC name of (2R)-2-hydroxy-3-[hydroxy(propan-2-yl)amino]propanoic acid (CID 130198796) is (2R)-2-hydroxy-3-[hydroxy(propan-2-yl)amino]propanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-3-[hydroxy(propan-2-yl)amino]propanoic acid?
The canonical SMILES for (2R)-2-hydroxy-3-[hydroxy(propan-2-yl)amino]propanoic acid is CC(C)N(O)C[C@@H](O)C(=O)O.
What is the InChIKey of (2R)-2-hydroxy-3-[hydroxy(propan-2-yl)amino]propanoic acid?
The InChIKey is WGYYDRDBOSENRN-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H13NO4/c1-4(2)7(11)3-5(8)6(9)10/h4-5,8,11H,3H2,1-2H3,(H,9,10)/t5-/m1/s1.
What are the key properties of (2R)-2-hydroxy-3-[hydroxy(propan-2-yl)amino]propanoic acid?
(2R)-2-hydroxy-3-[hydroxy(propan-2-yl)amino]propanoic acid has a molecular weight of 163.17 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-3-[hydroxy(propan-2-yl)amino]propanoic acid is sourced from PubChem (CID 130198796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).