N-[(2S,3S)-1,3-dihydroxybutan-2-yl]acetamide

C6H13NO3 — CID 59879103

IUPACN-[(2S,3S)-1,3-dihydroxybutan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CO)[C@H](C)O
InChIInChI=1S/C6H13NO3/c1-4(9)6(3-8)7-5(2)10/h4,6,8-9H,3H2,1-2H3,(H,7,10)/t4-,6-/m0/s1
InChIKeyDCKXIWXAMSAKCD-NJGYIYPDSA-N
MW147.17 g/mol
LogP-1.14
Rot. Bonds3

About N-[(2S,3S)-1,3-dihydroxybutan-2-yl]acetamide

N-[(2S,3S)-1,3-dihydroxybutan-2-yl]acetamide (PubChem CID 59879103) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is N-[(2S,3S)-1,3-dihydroxybutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S)-1,3-dihydroxybutan-2-yl]acetamide
PubChem CID59879103
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC NameN-[(2S,3S)-1,3-dihydroxybutan-2-yl]acetamide
SMILESCC(=O)N[C@@H](CO)[C@H](C)O
InChIInChI=1S/C6H13NO3/c1-4(9)6(3-8)7-5(2)10/h4,6,8-9H,3H2,1-2H3,(H,7,10)/t4-,6-/m0/s1
InChIKeyDCKXIWXAMSAKCD-NJGYIYPDSA-N
XLogP-1.14
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-1,3-dihydroxybutan-2-yl]acetamide?
The IUPAC name of N-[(2S,3S)-1,3-dihydroxybutan-2-yl]acetamide (CID 59879103) is N-[(2S,3S)-1,3-dihydroxybutan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3S)-1,3-dihydroxybutan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3S)-1,3-dihydroxybutan-2-yl]acetamide is CC(=O)N[C@@H](CO)[C@H](C)O.
What is the InChIKey of N-[(2S,3S)-1,3-dihydroxybutan-2-yl]acetamide?
The InChIKey is DCKXIWXAMSAKCD-NJGYIYPDSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4(9)6(3-8)7-5(2)10/h4,6,8-9H,3H2,1-2H3,(H,7,10)/t4-,6-/m0/s1.
What are the key properties of N-[(2S,3S)-1,3-dihydroxybutan-2-yl]acetamide?
N-[(2S,3S)-1,3-dihydroxybutan-2-yl]acetamide has a molecular weight of 147.17 g/mol, XLogP of -1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-1,3-dihydroxybutan-2-yl]acetamide is sourced from PubChem (CID 59879103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).