(2S)-2-amino-N-pentylpropanamide

C8H18N2O — CID 22690569

IUPAC(2S)-2-amino-N-pentylpropanamide
SMILESCCCCCNC(=O)[C@H](C)N
InChIInChI=1S/C8H18N2O/c1-3-4-5-6-10-8(11)7(2)9/h7H,3-6,9H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKeyXITIWNUYCSVDOK-ZETCQYMHSA-N
MW158.25 g/mol
LogP0.64
Rot. Bonds5

About (2S)-2-amino-N-pentylpropanamide

(2S)-2-amino-N-pentylpropanamide (PubChem CID 22690569) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is (2S)-2-amino-N-pentylpropanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-pentylpropanamide
PubChem CID22690569
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Name(2S)-2-amino-N-pentylpropanamide
SMILESCCCCCNC(=O)[C@H](C)N
InChIInChI=1S/C8H18N2O/c1-3-4-5-6-10-8(11)7(2)9/h7H,3-6,9H2,1-2H3,(H,10,11)/t7-/m0/s1
InChIKeyXITIWNUYCSVDOK-ZETCQYMHSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-pentylpropanamide?
The IUPAC name of (2S)-2-amino-N-pentylpropanamide (CID 22690569) is (2S)-2-amino-N-pentylpropanamide.
What is the SMILES notation for (2S)-2-amino-N-pentylpropanamide?
The canonical SMILES for (2S)-2-amino-N-pentylpropanamide is CCCCCNC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-pentylpropanamide?
The InChIKey is XITIWNUYCSVDOK-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2O/c1-3-4-5-6-10-8(11)7(2)9/h7H,3-6,9H2,1-2H3,(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-pentylpropanamide?
(2S)-2-amino-N-pentylpropanamide has a molecular weight of 158.25 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-pentylpropanamide is sourced from PubChem (CID 22690569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).