(2R)-2,4-dihydroxy-N-prop-2-ynylbutanamide

C7H11NO3 — CID 131230147

IUPAC(2R)-2,4-dihydroxy-N-prop-2-ynylbutanamide
SMILESC#CCNC(=O)[C@H](O)CCO
InChIInChI=1S/C7H11NO3/c1-2-4-8-7(11)6(10)3-5-9/h1,6,9-10H,3-5H2,(H,8,11)/t6-/m1/s1
InChIKeyDRFQYESFWWYINM-ZCFIWIBFSA-N
MW157.17 g/mol
LogP-1.52
Rot. Bonds4

About (2R)-2,4-dihydroxy-N-prop-2-ynylbutanamide

(2R)-2,4-dihydroxy-N-prop-2-ynylbutanamide (PubChem CID 131230147) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2R)-2,4-dihydroxy-N-prop-2-ynylbutanamide.

Molecular Properties

Compound Name(2R)-2,4-dihydroxy-N-prop-2-ynylbutanamide
PubChem CID131230147
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(2R)-2,4-dihydroxy-N-prop-2-ynylbutanamide
SMILESC#CCNC(=O)[C@H](O)CCO
InChIInChI=1S/C7H11NO3/c1-2-4-8-7(11)6(10)3-5-9/h1,6,9-10H,3-5H2,(H,8,11)/t6-/m1/s1
InChIKeyDRFQYESFWWYINM-ZCFIWIBFSA-N
XLogP-1.52
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-1.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,4-dihydroxy-N-prop-2-ynylbutanamide?
The IUPAC name of (2R)-2,4-dihydroxy-N-prop-2-ynylbutanamide (CID 131230147) is (2R)-2,4-dihydroxy-N-prop-2-ynylbutanamide.
What is the SMILES notation for (2R)-2,4-dihydroxy-N-prop-2-ynylbutanamide?
The canonical SMILES for (2R)-2,4-dihydroxy-N-prop-2-ynylbutanamide is C#CCNC(=O)[C@H](O)CCO.
What is the InChIKey of (2R)-2,4-dihydroxy-N-prop-2-ynylbutanamide?
The InChIKey is DRFQYESFWWYINM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-4-8-7(11)6(10)3-5-9/h1,6,9-10H,3-5H2,(H,8,11)/t6-/m1/s1.
What are the key properties of (2R)-2,4-dihydroxy-N-prop-2-ynylbutanamide?
(2R)-2,4-dihydroxy-N-prop-2-ynylbutanamide has a molecular weight of 157.17 g/mol, XLogP of -1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,4-dihydroxy-N-prop-2-ynylbutanamide is sourced from PubChem (CID 131230147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).