(2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide

C12H25N3O — CID 107570261

IUPAC(2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide
SMILESCCC[C@H](N)C(=O)NCC(C)N1CCCC1
InChIInChI=1S/C12H25N3O/c1-3-6-11(13)12(16)14-9-10(2)15-7-4-5-8-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)/t10?,11-/m0/s1
InChIKeyQMNCBEMYGSFEQB-DTIOYNMSSA-N
MW227.35 g/mol
LogP0.71
Rot. Bonds6

About (2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide

(2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide (PubChem CID 107570261) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide
PubChem CID107570261
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name(2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide
SMILESCCC[C@H](N)C(=O)NCC(C)N1CCCC1
InChIInChI=1S/C12H25N3O/c1-3-6-11(13)12(16)14-9-10(2)15-7-4-5-8-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)/t10?,11-/m0/s1
InChIKeyQMNCBEMYGSFEQB-DTIOYNMSSA-N
XLogP0.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 54899691
(2S)-2-amino-3-methyl-N-(2-piperidin-1-ylpropyl)pentanamide
CID 61173580
(2R)-2-amino-3,3-dimethyl-N-(2-piperidin-1-ylpropyl)butanamide
CID 113353389
2-pyrrolidin-1-ylpropylurea
CID 112728366
(2S)-2-amino-N-[2-(4-ethylpiperazin-1-yl)propyl]butanamide
CID 119901742
2-methyl-3-oxo-3-(2-pyrrolidin-1-ylpropylamino)propanoic acid
CID 114898830
2-amino-3-phenyl-N-(2-piperidin-1-ylpropyl)propanamide
CID 61017950
(2S)-2-amino-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]pentanamide
CID 107569214
1-(2-piperidin-1-ylpropyl)-3-propylurea
CID 115589371
(2S)-2-amino-4-methyl-N-(2-morpholin-4-ylpropyl)pentanamide
CID 119849934
(2S)-2-amino-4-methyl-N-[2-(4-methylpiperazin-1-yl)propyl]pentanamide
CID 119902872
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)pentanamide
CID 113263956

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide (CID 107570261) is (2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide is CCC[C@H](N)C(=O)NCC(C)N1CCCC1.
What is the InChIKey of (2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide?
The InChIKey is QMNCBEMYGSFEQB-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-6-11(13)12(16)14-9-10(2)15-7-4-5-8-15/h10-11H,3-9,13H2,1-2H3,(H,14,16)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide?
(2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide has a molecular weight of 227.35 g/mol, XLogP of 0.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-pyrrolidin-1-ylpropyl)pentanamide is sourced from PubChem (CID 107570261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).