1-[4-(2,2-dimethylpropanoylamino)butanoyl]pyrrolidine-3-carboxylic acid

C14H24N2O4 — CID 63031976

IUPAC1-[4-(2,2-dimethylpropanoylamino)butanoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)C(=O)NCCCC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)13(20)15-7-4-5-11(17)16-8-6-10(9-16)12(18)19/h10H,4-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyGRYPWNAVVGRSBP-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.86
Rot. Bonds5

About 1-[4-(2,2-dimethylpropanoylamino)butanoyl]pyrrolidine-3-carboxylic acid

1-[4-(2,2-dimethylpropanoylamino)butanoyl]pyrrolidine-3-carboxylic acid (PubChem CID 63031976) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[4-(2,2-dimethylpropanoylamino)butanoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2,2-dimethylpropanoylamino)butanoyl]pyrrolidine-3-carboxylic acid
PubChem CID63031976
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name1-[4-(2,2-dimethylpropanoylamino)butanoyl]pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)C(=O)NCCCC(=O)N1CCC(C(=O)O)C1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)13(20)15-7-4-5-11(17)16-8-6-10(9-16)12(18)19/h10H,4-9H2,1-3H3,(H,15,20)(H,18,19)
InChIKeyGRYPWNAVVGRSBP-UHFFFAOYSA-N
XLogP0.86
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-4-carboxylic acid
CID 43170437
1-[4-(cyclohexylcarbamoylamino)butanoyl]pyrrolidine-3-carboxylic acid
CID 119354504
1-[4-oxo-4-(propylamino)butanoyl]pyrrolidine-3-carboxylic acid
CID 119355311
1-(3-cyclobutylpropanoyl)pyrrolidine-3-carboxylic acid
CID 119355276
(3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid
CID 81119937
methyl 1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-3-carboxylate
CID 78919240
1-[5-(diethylamino)-5-oxopentanoyl]pyrrolidine-3-carboxylic acid
CID 119355055
(2S)-1-[4-(2,2-dimethylpropanoylamino)butanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151966
2-[1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidin-3-yl]acetic acid
CID 62689900
1-(3-methoxypropanoyl)pyrrolidine-3-carboxylic acid
CID 63030606
N-[4-(1,4-diazepan-1-yl)-4-oxobutyl]-2,2-dimethylpropanamide;hydrochloride
CID 119416641
cis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid
CID 120676639

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-dimethylpropanoylamino)butanoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-(2,2-dimethylpropanoylamino)butanoyl]pyrrolidine-3-carboxylic acid (CID 63031976) is 1-[4-(2,2-dimethylpropanoylamino)butanoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(2,2-dimethylpropanoylamino)butanoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(2,2-dimethylpropanoylamino)butanoyl]pyrrolidine-3-carboxylic acid is CC(C)(C)C(=O)NCCCC(=O)N1CCC(C(=O)O)C1.
What is the InChIKey of 1-[4-(2,2-dimethylpropanoylamino)butanoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is GRYPWNAVVGRSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2,3)13(20)15-7-4-5-11(17)16-8-6-10(9-16)12(18)19/h10H,4-9H2,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 1-[4-(2,2-dimethylpropanoylamino)butanoyl]pyrrolidine-3-carboxylic acid?
1-[4-(2,2-dimethylpropanoylamino)butanoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-dimethylpropanoylamino)butanoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63031976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).