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

C13H23NO3 — CID 120690503

IUPACcis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid
SMILESCC(C(=O)N[C@@H]1CC[C@H](C(=O)O)C1)C(C)(C)C
InChIInChI=1S/C13H23NO3/c1-8(13(2,3)4)11(15)14-10-6-5-9(7-10)12(16)17/h8-10H,5-7H2,1-4H3,(H,14,15)(H,16,17)/t8?,9-,10+/m0/s1
InChIKeyZLJGSBLZAOUMQK-CBMCFHRWSA-N
MW241.33 g/mol
LogP2.04
Rot. Bonds3

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

cis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 120690503) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is cis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid
PubChem CID120690503
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namecis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid
SMILESCC(C(=O)N[C@@H]1CC[C@H](C(=O)O)C1)C(C)(C)C
InChIInChI=1S/C13H23NO3/c1-8(13(2,3)4)11(15)14-10-6-5-9(7-10)12(16)17/h8-10H,5-7H2,1-4H3,(H,14,15)(H,16,17)/t8?,9-,10+/m0/s1
InChIKeyZLJGSBLZAOUMQK-CBMCFHRWSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66031744
cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322997
3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
CID 66033141
cis-(1R,3S)-3-[(3-amino-2-methylbutanoyl)amino]cyclopentane-1-carboxylic acid
CID 106322641
3-(4-methylpentanoylamino)cyclopentane-1-carboxylic acid
CID 66030515
cis-(1R,3S)-3-(2,2,4-trimethylpentanoylamino)cyclopentane-1-carboxylic acid
CID 120690552
3-[(2,2-difluoroacetyl)amino]cyclopentane-1-carboxylic acid
CID 103513356
cis-(1R,3S)-3-acetamidocyclopentane-1-carboxylic acid
CID 106320767
cis-(1S,3R)-3-[(2-ethylsulfanyl-3-methylbutanoyl)amino]cyclopentane-1-carboxylic acid
CID 120675185
3-[bis(2-methylpropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 66032816
cis-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 114173475
cis-(1R,3S)-3-[[(2R)-2-amino-4-methylpentanoyl]amino]cyclopentane-1-carboxylic acid
CID 114173473

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid (CID 120690503) is cis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid is CC(C(=O)N[C@@H]1CC[C@H](C(=O)O)C1)C(C)(C)C.
What is the InChIKey of cis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is ZLJGSBLZAOUMQK-CBMCFHRWSA-N. The full InChI is InChI=1S/C13H23NO3/c1-8(13(2,3)4)11(15)14-10-6-5-9(7-10)12(16)17/h8-10H,5-7H2,1-4H3,(H,14,15)(H,16,17)/t8?,9-,10+/m0/s1.
What are the key properties of cis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120690503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).