2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid

C10H18N2O4 — CID 103536055

IUPAC2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)N1CCC(OC)C1)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-3-8(9(13)14)11-10(15)12-5-4-7(6-12)16-2/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyBKGDSYWBPIPLNN-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.28
Rot. Bonds4

About 2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid

2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid (PubChem CID 103536055) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid
PubChem CID103536055
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid
SMILESCCC(NC(=O)N1CCC(OC)C1)C(=O)O
InChIInChI=1S/C10H18N2O4/c1-3-8(9(13)14)11-10(15)12-5-4-7(6-12)16-2/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14)
InChIKeyBKGDSYWBPIPLNN-UHFFFAOYSA-N
XLogP0.28
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid
CID 103536216
3-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]propanoic acid
CID 103536327
(2R)-5-methoxy-2-[(3-methoxypyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107829496
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 107146678
(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 103082201
(2S)-2-[(4-methoxypiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61197467
(2R)-2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 103942895
3-methoxy-2-[(4-methoxypiperidine-1-carbonyl)amino]propanoic acid
CID 81084937
3-[(3-methoxypyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 103536111
(2S)-2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 82691121
5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197274
(2S)-5-amino-2-[(4-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61197661

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid (CID 103536055) is 2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid is CCC(NC(=O)N1CCC(OC)C1)C(=O)O.
What is the InChIKey of 2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid?
The InChIKey is BKGDSYWBPIPLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-3-8(9(13)14)11-10(15)12-5-4-7(6-12)16-2/h7-8H,3-6H2,1-2H3,(H,11,15)(H,13,14).
What are the key properties of 2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid?
2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid has a molecular weight of 230.26 g/mol, XLogP of 0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 103536055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).