(2S)-2-[butyl(propanoyl)amino]butanamide

C11H22N2O2 — CID 11333375

IUPAC(2S)-2-[butyl(propanoyl)amino]butanamide
SMILESCCCCN(C(=O)CC)[C@@H](CC)C(N)=O
InChIInChI=1S/C11H22N2O2/c1-4-7-8-13(10(14)6-3)9(5-2)11(12)15/h9H,4-8H2,1-3H3,(H2,12,15)/t9-/m0/s1
InChIKeyFZCYDONAWKKMIN-VIFPVBQESA-N
MW214.31 g/mol
LogP1.29
Rot. Bonds7

About (2S)-2-[butyl(propanoyl)amino]butanamide

(2S)-2-[butyl(propanoyl)amino]butanamide (PubChem CID 11333375) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S)-2-[butyl(propanoyl)amino]butanamide.

Molecular Properties

Compound Name(2S)-2-[butyl(propanoyl)amino]butanamide
PubChem CID11333375
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S)-2-[butyl(propanoyl)amino]butanamide
SMILESCCCCN(C(=O)CC)[C@@H](CC)C(N)=O
InChIInChI=1S/C11H22N2O2/c1-4-7-8-13(10(14)6-3)9(5-2)11(12)15/h9H,4-8H2,1-3H3,(H2,12,15)/t9-/m0/s1
InChIKeyFZCYDONAWKKMIN-VIFPVBQESA-N
XLogP1.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[butyl(propanoyl)amino]butanamide?
The IUPAC name of (2S)-2-[butyl(propanoyl)amino]butanamide (CID 11333375) is (2S)-2-[butyl(propanoyl)amino]butanamide.
What is the SMILES notation for (2S)-2-[butyl(propanoyl)amino]butanamide?
The canonical SMILES for (2S)-2-[butyl(propanoyl)amino]butanamide is CCCCN(C(=O)CC)[C@@H](CC)C(N)=O.
What is the InChIKey of (2S)-2-[butyl(propanoyl)amino]butanamide?
The InChIKey is FZCYDONAWKKMIN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-7-8-13(10(14)6-3)9(5-2)11(12)15/h9H,4-8H2,1-3H3,(H2,12,15)/t9-/m0/s1.
What are the key properties of (2S)-2-[butyl(propanoyl)amino]butanamide?
(2S)-2-[butyl(propanoyl)amino]butanamide has a molecular weight of 214.31 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[butyl(propanoyl)amino]butanamide is sourced from PubChem (CID 11333375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).