N-[(2S)-2-amino-4-methylpentyl]acetamide

C8H18N2O — CID 127044707

IUPACN-[(2S)-2-amino-4-methylpentyl]acetamide
SMILESCC(=O)NC[C@@H](N)CC(C)C
InChIInChI=1S/C8H18N2O/c1-6(2)4-8(9)5-10-7(3)11/h6,8H,4-5,9H2,1-3H3,(H,10,11)/t8-/m0/s1
InChIKeyQFOOHZLEGMQAJJ-QMMMGPOBSA-N
MW158.24 g/mol
LogP0.50
Rot. Bonds4

About N-[(2S)-2-amino-4-methylpentyl]acetamide

N-[(2S)-2-amino-4-methylpentyl]acetamide (PubChem CID 127044707) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N-[(2S)-2-amino-4-methylpentyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-4-methylpentyl]acetamide
PubChem CID127044707
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN-[(2S)-2-amino-4-methylpentyl]acetamide
SMILESCC(=O)NC[C@@H](N)CC(C)C
InChIInChI=1S/C8H18N2O/c1-6(2)4-8(9)5-10-7(3)11/h6,8H,4-5,9H2,1-3H3,(H,10,11)/t8-/m0/s1
InChIKeyQFOOHZLEGMQAJJ-QMMMGPOBSA-N
XLogP0.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-4-methylpentyl]acetamide?
The IUPAC name of N-[(2S)-2-amino-4-methylpentyl]acetamide (CID 127044707) is N-[(2S)-2-amino-4-methylpentyl]acetamide.
What is the SMILES notation for N-[(2S)-2-amino-4-methylpentyl]acetamide?
The canonical SMILES for N-[(2S)-2-amino-4-methylpentyl]acetamide is CC(=O)NC[C@@H](N)CC(C)C.
What is the InChIKey of N-[(2S)-2-amino-4-methylpentyl]acetamide?
The InChIKey is QFOOHZLEGMQAJJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(2)4-8(9)5-10-7(3)11/h6,8H,4-5,9H2,1-3H3,(H,10,11)/t8-/m0/s1.
What are the key properties of N-[(2S)-2-amino-4-methylpentyl]acetamide?
N-[(2S)-2-amino-4-methylpentyl]acetamide has a molecular weight of 158.24 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-4-methylpentyl]acetamide is sourced from PubChem (CID 127044707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).