2-[ethyl-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid

C14H27N3O3 — CID 62821275

IUPAC2-[ethyl-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN1CCCC1CNC(=O)N(CC)C(C)(C)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-5-16-9-7-8-11(16)10-15-13(20)17(6-2)14(3,4)12(18)19/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyRRKMZNICZWRKEH-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.37
Rot. Bonds6

About 2-[ethyl-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid

2-[ethyl-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid (PubChem CID 62821275) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[ethyl-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
PubChem CID62821275
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name2-[ethyl-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid
SMILESCCN1CCCC1CNC(=O)N(CC)C(C)(C)C(=O)O
InChIInChI=1S/C14H27N3O3/c1-5-16-9-7-8-11(16)10-15-13(20)17(6-2)14(3,4)12(18)19/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19)
InChIKeyRRKMZNICZWRKEH-UHFFFAOYSA-N
XLogP1.37
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,4-dimethylpiperazin-2-yl)methylcarbamoyl-ethylamino]-2-methylpropanoic acid
CID 63897494
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methane
CID 159182126
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylbutanamide
CID 79797670
N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide;methanethiol
CID 143677911
(2S)-2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,3-dimethylbutanamide;dihydrochloride
CID 119829033
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 61191761
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]cyclopropane-1-carboxamide
CID 114995304
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 43318538
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031263
1-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]azepane-2-carboxylic acid
CID 64564669
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N'-(2-methylpropyl)oxamide
CID 7320188
2,2,2-trifluoroethyl N-[(1-ethylpyrrolidin-2-yl)methyl]carbamate
CID 65173333

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid (CID 62821275) is 2-[ethyl-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid is CCN1CCCC1CNC(=O)N(CC)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid?
The InChIKey is RRKMZNICZWRKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-5-16-9-7-8-11(16)10-15-13(20)17(6-2)14(3,4)12(18)19/h11H,5-10H2,1-4H3,(H,15,20)(H,18,19).
What are the key properties of 2-[ethyl-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid?
2-[ethyl-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62821275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).