cis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid

C15H26N2O4 — CID 120676639

IUPACcis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)C(=O)NCCCC(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)14(21)16-8-4-5-12(18)17-11-7-6-10(9-11)13(19)20/h10-11H,4-9H2,1-3H3,(H,16,21)(H,17,18)(H,19,20)/t10-,11+/m0/s1
InChIKeyVSGAQCBKMBWEPZ-WDEREUQCSA-N
MW298.38 g/mol
LogP1.30
Rot. Bonds6

About cis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 120676639) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is cis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid
PubChem CID120676639
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Namecis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid
SMILESCC(C)(C)C(=O)NCCCC(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C15H26N2O4/c1-15(2,3)14(21)16-8-4-5-12(18)17-11-7-6-10(9-11)13(19)20/h10-11H,4-9H2,1-3H3,(H,16,21)(H,17,18)(H,19,20)/t10-,11+/m0/s1
InChIKeyVSGAQCBKMBWEPZ-WDEREUQCSA-N
XLogP1.30
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-hydroxycyclohexyl)amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 43394652
cis-(1R,3S)-3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 106320393
3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 66030150
cis-(1R,3S)-3-(4-cyclohexylbutanoylamino)cyclopentane-1-carboxylic acid
CID 106320958
cis-(1R,3S)-3-(5-aminopentanoylamino)cyclopentane-1-carboxylic acid
CID 106322808
2,2-dimethyl-N-[4-oxo-4-(piperidin-3-ylamino)butyl]propanamide
CID 119426962
N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 55706617
cis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid
CID 106322969
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
cis-(1S,3R)-3-(4,4,4-trifluorobutanoylamino)cyclopentane-1-carboxylic acid
CID 120676611
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
cis-(1S,3R)-3-(4-propan-2-yloxybutanoylamino)cyclopentane-1-carboxylic acid
CID 120690511

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid (CID 120676639) is cis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid is CC(C)(C)C(=O)NCCCC(=O)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is VSGAQCBKMBWEPZ-WDEREUQCSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,3)14(21)16-8-4-5-12(18)17-11-7-6-10(9-11)13(19)20/h10-11H,4-9H2,1-3H3,(H,16,21)(H,17,18)(H,19,20)/t10-,11+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 1.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[4-(2,2-dimethylpropanoylamino)butanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).