(3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid

C12H22N2O3 — CID 7318552

IUPAC(3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid
SMILESC[C@@H](CC(=O)O)CC(=O)NCCN1CCCC1
InChIInChI=1S/C12H22N2O3/c1-10(9-12(16)17)8-11(15)13-4-7-14-5-2-3-6-14/h10H,2-9H2,1H3,(H,13,15)(H,16,17)/t10-/m1/s1
InChIKeyYSRRNFIRSPEFMR-SNVBAGLBSA-N
MW242.32 g/mol
LogP0.70
Rot. Bonds7

About (3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid

(3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid (PubChem CID 7318552) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is (3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid.

Molecular Properties

Compound Name(3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid
PubChem CID7318552
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name(3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid
SMILESC[C@@H](CC(=O)O)CC(=O)NCCN1CCCC1
InChIInChI=1S/C12H22N2O3/c1-10(9-12(16)17)8-11(15)13-4-7-14-5-2-3-6-14/h10H,2-9H2,1H3,(H,13,15)(H,16,17)/t10-/m1/s1
InChIKeyYSRRNFIRSPEFMR-SNVBAGLBSA-N
XLogP0.70
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-methyl-5-oxo-5-(2-piperidin-1-ylethylamino)pentanoic acid
CID 2225388
3-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid
CID 81069421
N-[2-(azepan-1-yl)ethyl]-2-(propan-2-ylamino)acetamide
CID 61240012
ethane;N-(2-piperidin-1-ylethyl)propanamide
CID 143432690
4-hydroxy-N-(2-pyrrolidin-1-ylethyl)pentanamide
CID 79200302
4-[2-(azepan-1-yl)ethylamino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 61241356
3-methyl-5-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-5-oxopentanoic acid
CID 62964716
2-[4,7-bis(carboxymethyl)-10-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 167457689
3-oxo-N,N'-bis(2-pyrrolidin-1-ylethyl)pentanediamide
CID 20664926
N-[2-(azepan-1-yl)ethyl]-2-propan-2-yloxyacetamide
CID 112686819
4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 60850954
5-[2-(azepan-1-yl)ethylamino]-5-oxopentanoic acid
CID 53211701

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid?
The IUPAC name of (3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid (CID 7318552) is (3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid.
What is the SMILES notation for (3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid?
The canonical SMILES for (3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid is C[C@@H](CC(=O)O)CC(=O)NCCN1CCCC1.
What is the InChIKey of (3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid?
The InChIKey is YSRRNFIRSPEFMR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-10(9-12(16)17)8-11(15)13-4-7-14-5-2-3-6-14/h10H,2-9H2,1H3,(H,13,15)(H,16,17)/t10-/m1/s1.
What are the key properties of (3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid?
(3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-5-oxo-5-(2-pyrrolidin-1-ylethylamino)pentanoic acid is sourced from PubChem (CID 7318552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).