cis-(1R,3S)-3-(2,2,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid

C14H25NO3 — CID 120690552

IUPACcis-(1R,3S)-3-(2,2,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)CC(C)(C)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H25NO3/c1-9(2)8-14(3,4)13(18)15-11-6-5-10(7-11)12(16)17/h9-11H,5-8H2,1-4H3,(H,15,18)(H,16,17)/t10-,11+/m1/s1
InChIKeyWFOMMWWFBWETIP-MNOVXSKESA-N
MW255.36 g/mol
LogP2.43
Rot. Bonds5

About cis-(1R,3S)-3-(2,2,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-(2,2,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 120690552) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is cis-(1R,3S)-3-(2,2,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-(2,2,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid
PubChem CID120690552
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Namecis-(1R,3S)-3-(2,2,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)CC(C)(C)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C14H25NO3/c1-9(2)8-14(3,4)13(18)15-11-6-5-10(7-11)12(16)17/h9-11H,5-8H2,1-4H3,(H,15,18)(H,16,17)/t10-,11+/m1/s1
InChIKeyWFOMMWWFBWETIP-MNOVXSKESA-N
XLogP2.43
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid
CID 120690503
cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 114173473
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66031744
cis-(1R,3S)-3-[(2-amino-2-cyclopropylpropanoyl)amino]cyclopentane-1-carboxylic acid
CID 114173491
3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032816
3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
CID 66033141
cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 106322701
cis-(1S,3R)-3-[[2-(methanesulfonamido)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 120675022
3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102907107
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
cis-(1R,3S)-3-(2,2-dimethylpropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106319362

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-(2,2,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-(2,2,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid (CID 120690552) is cis-(1R,3S)-3-(2,2,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-(2,2,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-(2,2,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid is CC(C)CC(C)(C)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-(2,2,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is WFOMMWWFBWETIP-MNOVXSKESA-N. The full InChI is InChI=1S/C14H25NO3/c1-9(2)8-14(3,4)13(18)15-11-6-5-10(7-11)12(16)17/h9-11H,5-8H2,1-4H3,(H,15,18)(H,16,17)/t10-,11+/m1/s1.
What are the key properties of cis-(1R,3S)-3-(2,2,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-(2,2,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-(2,2,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120690552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).