(2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid

C11H21N3O3 — CID 107566455

IUPAC(2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC1CCN(C)C1)C(=O)O
InChIInChI=1S/C11H21N3O3/c1-3-4-9(10(15)16)13-11(17)12-8-5-6-14(2)7-8/h8-9H,3-7H2,1-2H3,(H,15,16)(H2,12,13,17)/t8?,9-/m1/s1
InChIKeyCPJAISWBRXPEKM-YGPZHTELSA-N
MW243.31 g/mol
LogP0.24
Rot. Bonds5

About (2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid

(2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid (PubChem CID 107566455) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is (2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
PubChem CID107566455
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name(2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)NC1CCN(C)C1)C(=O)O
InChIInChI=1S/C11H21N3O3/c1-3-4-9(10(15)16)13-11(17)12-8-5-6-14(2)7-8/h8-9H,3-7H2,1-2H3,(H,15,16)(H2,12,13,17)/t8?,9-/m1/s1
InChIKeyCPJAISWBRXPEKM-YGPZHTELSA-N
XLogP0.24
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 107826759
4-hydroxy-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]butanoic acid
CID 54949791
(2S)-2-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]pentanoic acid
CID 107566680
(2R)-2-(cyclopropylcarbamoylamino)pentanoic acid
CID 107564781
(2S)-4-hydroxy-2-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 107826156
2-[(1-methylpiperidin-4-yl)carbamoylamino]pentanedioic acid
CID 61198418
(2S)-2-[(1,2-dimethylpiperidin-4-yl)carbamoylamino]pentanoic acid
CID 107567367
(2S)-2-[(4-ethylcyclohexyl)carbamoylamino]pentanoic acid
CID 107566467
(2R)-2-(cyclooctylcarbamoylamino)pentanoic acid
CID 107565953
(2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107562789
1-[(3R)-1-methylpyrrolidin-3-yl]-3-propan-2-ylurea
CID 59568945
N-[(3R)-1-methylpyrrolidin-3-yl]-2-propylpentanamide
CID 167206837

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid (CID 107566455) is (2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)NC1CCN(C)C1)C(=O)O.
What is the InChIKey of (2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid?
The InChIKey is CPJAISWBRXPEKM-YGPZHTELSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-3-4-9(10(15)16)13-11(17)12-8-5-6-14(2)7-8/h8-9H,3-7H2,1-2H3,(H,15,16)(H2,12,13,17)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid?
(2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-methylpyrrolidin-3-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 107566455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).