(2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid

C11H20N2O3 — CID 107146972

IUPAC(2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid
SMILESCCCC[C@H](NC(=O)C1CCNC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-3-4-9(11(15)16)13-10(14)8-5-6-12-7-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)/t8?,9-/m0/s1
InChIKeyDJAVUWMBLLIQDR-GKAPJAKFSA-N
MW228.29 g/mol
LogP0.36
Rot. Bonds6

About (2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid

(2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid (PubChem CID 107146972) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid
PubChem CID107146972
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid
SMILESCCCC[C@H](NC(=O)C1CCNC1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-3-4-9(11(15)16)13-10(14)8-5-6-12-7-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)/t8?,9-/m0/s1
InChIKeyDJAVUWMBLLIQDR-GKAPJAKFSA-N
XLogP0.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(piperidine-4-carbonylamino)hexanoic acid
CID 61160247
(2R)-4-hydroxy-2-(pyrrolidine-3-carbonylamino)butanoic acid
CID 107825270
(2S)-2-[[(3S)-piperidine-3-carbonyl]amino]pentanoic acid
CID 107565163
(2S)-5-methoxy-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114005134
(2R)-5-amino-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114006040
2-(piperidine-3-carbonylamino)butanoic acid
CID 61159662
(2S)-2-(cyclopent-3-ene-1-carbonylamino)hexanoic acid
CID 107144689
3-(1-carboxypentylcarbamoyl)-5-[[(1S)-1-carboxypentyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 143048092
4-methylsulfonyl-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81140712
(2S)-4-hydroxy-2-[[(3S)-piperidine-3-carbonyl]amino]butanoic acid
CID 107824929
2-(oxolane-3-carbonylamino)hexanoic acid
CID 61271265
4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81139656

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid?
The IUPAC name of (2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid (CID 107146972) is (2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid?
The canonical SMILES for (2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid is CCCC[C@H](NC(=O)C1CCNC1)C(=O)O.
What is the InChIKey of (2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid?
The InChIKey is DJAVUWMBLLIQDR-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-3-4-9(11(15)16)13-10(14)8-5-6-12-7-8/h8-9,12H,2-7H2,1H3,(H,13,14)(H,15,16)/t8?,9-/m0/s1.
What are the key properties of (2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid?
(2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(pyrrolidine-3-carbonylamino)hexanoic acid is sourced from PubChem (CID 107146972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).