(2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide

C15H29N3O — CID 94827893

IUPAC(2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
SMILESC[C@H](NCCCN1CCCC1)C(=O)NC1CCCC1
InChIInChI=1S/C15H29N3O/c1-13(15(19)17-14-7-2-3-8-14)16-9-6-12-18-10-4-5-11-18/h13-14,16H,2-12H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyPHXVKWMIDYPWTF-ZDUSSCGKSA-N
MW267.42 g/mol
LogP1.51
Rot. Bonds7

About (2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide

(2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide (PubChem CID 94827893) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
PubChem CID94827893
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
SMILESC[C@H](NCCCN1CCCC1)C(=O)NC1CCCC1
InChIInChI=1S/C15H29N3O/c1-13(15(19)17-14-7-2-3-8-14)16-9-6-12-18-10-4-5-11-18/h13-14,16H,2-12H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyPHXVKWMIDYPWTF-ZDUSSCGKSA-N
XLogP1.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-(2-thiomorpholin-4-ylethylamino)propanamide
CID 106325726
2-(butylamino)-N-cyclopentylpropanamide
CID 43083458
N-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60677024
2-(3-piperidin-1-ylpropylamino)propanoic acid
CID 66172280
N-pentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60721100
N-cyclohexyl-2-(pent-4-ynylamino)propanamide
CID 103711279
N-cyclopentyl-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]propanamide
CID 115571861
(2R)-N-cyclohexyl-2-(hexylamino)propanamide
CID 95357979
N-cyclohexyl-2-[(5-hydroxy-4-methylpentyl)amino]propanamide
CID 106160233
N-cyclohexyl-2-[4-(2-methoxyethoxy)butylamino]propanamide
CID 115600082
2-(3-butoxypropylamino)-N-cyclohexylpropanamide
CID 115569811
N-cyclopropyl-2-(3-fluoropropylamino)propanamide
CID 115731798

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide (CID 94827893) is (2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide is C[C@H](NCCCN1CCCC1)C(=O)NC1CCCC1.
What is the InChIKey of (2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide?
The InChIKey is PHXVKWMIDYPWTF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(15(19)17-14-7-2-3-8-14)16-9-6-12-18-10-4-5-11-18/h13-14,16H,2-12H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide?
(2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide has a molecular weight of 267.42 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide is sourced from PubChem (CID 94827893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).