(2R)-2-amino-3-cyclohexyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide

C14H27N3O — CID 143330187

IUPAC(2R)-2-amino-3-cyclohexyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide
SMILESN[C@H](CC1CCCCC1)C(=O)NC[C@@H]1CCCN1
InChIInChI=1S/C14H27N3O/c15-13(9-11-5-2-1-3-6-11)14(18)17-10-12-7-4-8-16-12/h11-13,16H,1-10,15H2,(H,17,18)/t12-,13+/m0/s1
InChIKeyZWCASDKBTKRITH-QWHCGFSZSA-N
MW253.39 g/mol
LogP1.15
Rot. Bonds5

About (2R)-2-amino-3-cyclohexyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide

(2R)-2-amino-3-cyclohexyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide (PubChem CID 143330187) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (2R)-2-amino-3-cyclohexyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-cyclohexyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide
PubChem CID143330187
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(2R)-2-amino-3-cyclohexyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide
SMILESN[C@H](CC1CCCCC1)C(=O)NC[C@@H]1CCCN1
InChIInChI=1S/C14H27N3O/c15-13(9-11-5-2-1-3-6-11)14(18)17-10-12-7-4-8-16-12/h11-13,16H,1-10,15H2,(H,17,18)/t12-,13+/m0/s1
InChIKeyZWCASDKBTKRITH-QWHCGFSZSA-N
XLogP1.15
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119510207
2-(cyclopentylmethyl)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119510206
(2R)-2-amino-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 130719126
2-amino-3-cyclohexyl-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 114264790
(2R)-2-hydroxy-N-(pyrrolidin-2-ylmethyl)propanamide
CID 126992577
(2S)-2-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]propanamide
CID 130985831
3,3,3-trifluoro-N-(piperidin-2-ylmethyl)-2-(trifluoromethyl)propanamide
CID 103309459
2-amino-3-pyrrolidin-2-ylpropanoic acid
CID 67340597
[(2S)-piperidin-2-yl]methylcarbamic acid
CID 67090489
2-amino-3-cyclohexyl-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 114264767
2,2-dimethyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 62542506
1-(pyrrolidin-2-ylmethyl)-3-(thian-4-ylmethyl)urea
CID 117234673

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-cyclohexyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of (2R)-2-amino-3-cyclohexyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide (CID 143330187) is (2R)-2-amino-3-cyclohexyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-3-cyclohexyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for (2R)-2-amino-3-cyclohexyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide is N[C@H](CC1CCCCC1)C(=O)NC[C@@H]1CCCN1.
What is the InChIKey of (2R)-2-amino-3-cyclohexyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide?
The InChIKey is ZWCASDKBTKRITH-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H27N3O/c15-13(9-11-5-2-1-3-6-11)14(18)17-10-12-7-4-8-16-12/h11-13,16H,1-10,15H2,(H,17,18)/t12-,13+/m0/s1.
What are the key properties of (2R)-2-amino-3-cyclohexyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide?
(2R)-2-amino-3-cyclohexyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide has a molecular weight of 253.39 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-cyclohexyl-N-[[(2S)-pyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 143330187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).