(2S)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide

C11H21N3O2 — CID 94219248

IUPAC(2S)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide
SMILESC[C@@H](C(=O)NC(N)=O)N(C)CC1CCCC1
InChIInChI=1S/C11H21N3O2/c1-8(10(15)13-11(12)16)14(2)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H3,12,13,15,16)/t8-/m0/s1
InChIKeyMNJDQZSMVBGFND-QMMMGPOBSA-N
MW227.31 g/mol
LogP0.69
Rot. Bonds4

About (2S)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide

(2S)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide (PubChem CID 94219248) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2S)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide
PubChem CID94219248
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(2S)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide
SMILESC[C@@H](C(=O)NC(N)=O)N(C)CC1CCCC1
InChIInChI=1S/C11H21N3O2/c1-8(10(15)13-11(12)16)14(2)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H3,12,13,15,16)/t8-/m0/s1
InChIKeyMNJDQZSMVBGFND-QMMMGPOBSA-N
XLogP0.69
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide
CID 94219249
2-[cyclohexylmethyl(methyl)amino]-3-methylbutanehydrazide
CID 55212497
N-carbamoyl-2-[methyl(2-piperidin-2-ylethyl)amino]propanamide
CID 66273844
2-[(4-aminocyclohexyl)-methylamino]-N-carbamoylpropanamide
CID 79121744
N-carbamoyl-2-[(1-hydroxycyclopentyl)methyl-methylamino]propanamide
CID 115758525
N-cyclopentyl-2-[methyl(piperidin-3-ylmethyl)amino]propanamide
CID 106636337
N-carbamoyl-2-[methyl(prop-2-ynyl)amino]propanamide
CID 130749805
2-[cyclopentylmethyl(methyl)amino]butanamide
CID 62923981
3-[cyclopentylmethyl(methyl)amino]butanehydrazide
CID 63656548
4-[cyclohexylmethyl(methyl)amino]pentanehydrazide
CID 63577696
(3S)-3-[cyclopentylmethyl(methyl)amino]-N-methylbutanamide
CID 95121560
N-carbamoyl-2-[2-cyanopropyl(methyl)amino]propanamide
CID 47395534

Frequently Asked Questions

What is the IUPAC name of (2S)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide?
The IUPAC name of (2S)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide (CID 94219248) is (2S)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide.
What is the SMILES notation for (2S)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide?
The canonical SMILES for (2S)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide is C[C@@H](C(=O)NC(N)=O)N(C)CC1CCCC1.
What is the InChIKey of (2S)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide?
The InChIKey is MNJDQZSMVBGFND-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(10(15)13-11(12)16)14(2)7-9-5-3-4-6-9/h8-9H,3-7H2,1-2H3,(H3,12,13,15,16)/t8-/m0/s1.
What are the key properties of (2S)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide?
(2S)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide has a molecular weight of 227.31 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-carbamoyl-2-[cyclopentylmethyl(methyl)amino]propanamide is sourced from PubChem (CID 94219248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).