tert-butyl-[(2R,3R)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid

C16H30N2O3 — CID 67128396

IUPACtert-butyl-[(2R,3R)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid
SMILESCC[C@@H](C)[C@H](C(=O)NC1CCCC1)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-6-11(2)13(18(15(20)21)16(3,4)5)14(19)17-12-9-7-8-10-12/h11-13H,6-10H2,1-5H3,(H,17,19)(H,20,21)/t11-,13-/m1/s1
InChIKeyZVUXFHZJEUXXEV-DGCLKSJQSA-N
MW298.43 g/mol
LogP3.24
Rot. Bonds5

About tert-butyl-[(2R,3R)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid

tert-butyl-[(2R,3R)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid (PubChem CID 67128396) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl-[(2R,3R)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(2R,3R)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid
PubChem CID67128396
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl-[(2R,3R)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid
SMILESCC[C@@H](C)[C@H](C(=O)NC1CCCC1)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-6-11(2)13(18(15(20)21)16(3,4)5)14(19)17-12-9-7-8-10-12/h11-13H,6-10H2,1-5H3,(H,17,19)(H,20,21)/t11-,13-/m1/s1
InChIKeyZVUXFHZJEUXXEV-DGCLKSJQSA-N
XLogP3.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-2-(3-methylpentan-2-ylamino)propanamide
CID 54950797
N-cyclopentyl-2-methylbutanamide;methane
CID 159941857
(2R)-N-cyclobutyl-2-methylbutanamide
CID 129182523
2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]-2-methylpropanoic acid
CID 62820612
2-tert-butyl-N-cyclohexyl-4,4-dimethylpentanamide
CID 170128023
tert-butyl N-[1-[tert-butyl-[2-(cyclohexylamino)-1-(3,5-dimethylphenyl)-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 18024088
2-(cyclohexylcarbamoylamino)-3-methylpentanoic acid
CID 4269687
N-cyclohexyl-2-ethoxypropanamide
CID 137320539
1-butan-2-yl-3-cyclopentyl-1-methylurea
CID 115584177
tert-butyl-[2-(cyclopentylamino)propyl]carbamic acid
CID 67085177
2-amino-N-cyclopropyl-3-methylpentanamide
CID 24695258
N-cyclopentyl-2-ethylhexanamide
CID 4146053

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R,3R)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[(2R,3R)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid (CID 67128396) is tert-butyl-[(2R,3R)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(2R,3R)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(2R,3R)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid is CC[C@@H](C)[C@H](C(=O)NC1CCCC1)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R,3R)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid?
The InChIKey is ZVUXFHZJEUXXEV-DGCLKSJQSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-6-11(2)13(18(15(20)21)16(3,4)5)14(19)17-12-9-7-8-10-12/h11-13H,6-10H2,1-5H3,(H,17,19)(H,20,21)/t11-,13-/m1/s1.
What are the key properties of tert-butyl-[(2R,3R)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid?
tert-butyl-[(2R,3R)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid has a molecular weight of 298.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R,3R)-1-(cyclopentylamino)-3-methyl-1-oxopentan-2-yl]carbamic acid is sourced from PubChem (CID 67128396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).