(2S)-2-(propylamino)propanamide

C6H14N2O — CID 28835957

IUPAC(2S)-2-(propylamino)propanamide
SMILESCCCN[C@@H](C)C(N)=O
InChIInChI=1S/C6H14N2O/c1-3-4-8-5(2)6(7)9/h5,8H,3-4H2,1-2H3,(H2,7,9)/t5-/m0/s1
InChIKeyRJCSCBNYSOVYEY-YFKPBYRVSA-N
MW130.19 g/mol
LogP-0.14
Rot. Bonds4

About (2S)-2-(propylamino)propanamide

(2S)-2-(propylamino)propanamide (PubChem CID 28835957) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is (2S)-2-(propylamino)propanamide.

Molecular Properties

Compound Name(2S)-2-(propylamino)propanamide
PubChem CID28835957
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name(2S)-2-(propylamino)propanamide
SMILESCCCN[C@@H](C)C(N)=O
InChIInChI=1S/C6H14N2O/c1-3-4-8-5(2)6(7)9/h5,8H,3-4H2,1-2H3,(H2,7,9)/t5-/m0/s1
InChIKeyRJCSCBNYSOVYEY-YFKPBYRVSA-N
XLogP-0.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(propylamino)propanamide
CID 43086178
2-(2-aminoethylamino)propanamide
CID 20551229
(2S)-2-(2-hydroxyethylamino)propanamide
CID 93033472
2-(3-methylbutylamino)propanamide
CID 43086017
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-2-(propylamino)butanamide
CID 134350217
2-(3-hydroxypropylamino)propanamide
CID 43392787
2-[(1-amino-1-oxopropan-2-yl)amino]ethyl carbamate
CID 83211096
2-(2-methylsulfanylethylamino)propanamide
CID 60672708
2-(3-fluoropropylamino)propanamide
CID 81105726
2-(3,3-diethoxypropylamino)propanamide
CID 81095052
2-(2-sulfamoylethylamino)propanamide
CID 114384800
2-(3-methylbut-3-enylamino)propanamide
CID 114472047

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(propylamino)propanamide?
The IUPAC name of (2S)-2-(propylamino)propanamide (CID 28835957) is (2S)-2-(propylamino)propanamide.
What is the SMILES notation for (2S)-2-(propylamino)propanamide?
The canonical SMILES for (2S)-2-(propylamino)propanamide is CCCN[C@@H](C)C(N)=O.
What is the InChIKey of (2S)-2-(propylamino)propanamide?
The InChIKey is RJCSCBNYSOVYEY-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14N2O/c1-3-4-8-5(2)6(7)9/h5,8H,3-4H2,1-2H3,(H2,7,9)/t5-/m0/s1.
What are the key properties of (2S)-2-(propylamino)propanamide?
(2S)-2-(propylamino)propanamide has a molecular weight of 130.19 g/mol, XLogP of -0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(propylamino)propanamide is sourced from PubChem (CID 28835957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).