propan-2-yl 2-methyl-3-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride

C12H23ClN2O3 — CID 119338461

IUPACpropan-2-yl 2-methyl-3-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
SMILESCC(C)OC(=O)C(C)CNC(=O)C1CCCN1.Cl
InChIInChI=1S/C12H22N2O3.ClH/c1-8(2)17-12(16)9(3)7-14-11(15)10-5-4-6-13-10;/h8-10,13H,4-7H2,1-3H3,(H,14,15);1H
InChIKeyRDCUZAQYCKAANV-UHFFFAOYSA-N
MW278.78 g/mol
LogP0.86
Rot. Bonds5

About propan-2-yl 2-methyl-3-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride

propan-2-yl 2-methyl-3-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride (PubChem CID 119338461) has the molecular formula C12H23ClN2O3 and a molecular weight of 278.78 g/mol. Its IUPAC name is propan-2-yl 2-methyl-3-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride.

Molecular Properties

Compound Namepropan-2-yl 2-methyl-3-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
PubChem CID119338461
Molecular FormulaC12H23ClN2O3
Molecular Weight278.78 g/mol
Exact Mass278.14
IUPAC Namepropan-2-yl 2-methyl-3-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride
SMILESCC(C)OC(=O)C(C)CNC(=O)C1CCCN1.Cl
InChIInChI=1S/C12H22N2O3.ClH/c1-8(2)17-12(16)9(3)7-14-11(15)10-5-4-6-13-10;/h8-10,13H,4-7H2,1-3H3,(H,14,15);1H
InChIKeyRDCUZAQYCKAANV-UHFFFAOYSA-N
XLogP0.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-methyl-3-(piperidine-3-carbonylamino)propanoate;hydrochloride
CID 119338471
N-(2-cyclopropylpropyl)pyrrolidine-2-carboxamide
CID 115591240
N-(2,2-dimethoxyethyl)pyrrolidine-2-carboxamide
CID 61275078
N-(2-aminopropyl)piperidine-2-carboxamide;hydrochloride
CID 130685962
N-(2,3-dimethylbutyl)pyrrolidine-2-carboxamide
CID 64597278
propan-2-yl 2-methyl-3-(piperidine-4-carbonylamino)propanoate
CID 119338456
3-(azepane-2-carbonylamino)-2-methylpropanoic acid
CID 64569148
propan-2-yl 3-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)-2-methylpropanoate
CID 119338446
(2S)-N-(2-methoxypropyl)piperidine-2-carboxamide
CID 102695060
N-(2-methylsulfanylpropyl)pyrrolidine-2-carboxamide
CID 115976802
N-(2-cyclopropyl-2-hydroxyethyl)pyrrolidine-2-carboxamide
CID 63297013
(2S)-N-[(2R)-2-(1-hydroxyethylamino)propyl]pyrrolidine-2-carboxamide
CID 148575646

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methyl-3-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride?
The IUPAC name of propan-2-yl 2-methyl-3-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride (CID 119338461) is propan-2-yl 2-methyl-3-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride.
What is the SMILES notation for propan-2-yl 2-methyl-3-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride?
The canonical SMILES for propan-2-yl 2-methyl-3-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride is CC(C)OC(=O)C(C)CNC(=O)C1CCCN1.Cl.
What is the InChIKey of propan-2-yl 2-methyl-3-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride?
The InChIKey is RDCUZAQYCKAANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3.ClH/c1-8(2)17-12(16)9(3)7-14-11(15)10-5-4-6-13-10;/h8-10,13H,4-7H2,1-3H3,(H,14,15);1H.
What are the key properties of propan-2-yl 2-methyl-3-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride?
propan-2-yl 2-methyl-3-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride has a molecular weight of 278.78 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methyl-3-(pyrrolidine-2-carbonylamino)propanoate;hydrochloride is sourced from PubChem (CID 119338461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).