cis-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid

C12H22N2O3 — CID 114173475

IUPACcis-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCNCC(C)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-3-13-7-8(2)11(15)14-10-5-4-9(6-10)12(16)17/h8-10,13H,3-7H2,1-2H3,(H,14,15)(H,16,17)/t8?,9-,10+/m1/s1
InChIKeyQYTYEPPGLVFKPK-XVBQNVSMSA-N
MW242.32 g/mol
LogP0.60
Rot. Bonds6

About cis-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 114173475) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is cis-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID114173475
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namecis-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCCNCC(C)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C12H22N2O3/c1-3-13-7-8(2)11(15)14-10-5-4-9(6-10)12(16)17/h8-10,13H,3-7H2,1-2H3,(H,14,15)(H,16,17)/t8?,9-,10+/m1/s1
InChIKeyQYTYEPPGLVFKPK-XVBQNVSMSA-N
XLogP0.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-3-(ethylamino)-2-methylpropanamide
CID 62839829
3-(2-aminopropanoylamino)cyclopentane-1-carboxylic acid
CID 66033141
cis-(1R,3S)-3-(2-aminobutanoylamino)cyclopentane-1-carboxylic acid
CID 106322701
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445
N-(2,4-dimethylcyclohexyl)-3-(ethylamino)-2-methylpropanamide
CID 63998973
cis-(1S,3R)-3-[(2-ethylsulfanyl-3-methylbutanoyl)amino]cyclopentane-1-carboxylic acid
CID 120675185
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 62852011
cis-(1R,3S)-3-[(3-amino-2-methylbutanoyl)amino]cyclopentane-1-carboxylic acid
CID 106322641
cis-(1S,3R)-3-(2,3,3-trimethylbutanoylamino)cyclopentane-1-carboxylic acid
CID 120690503
cis-(1R,3S)-3-[[(2R)-2-amino-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322997
cis-(1R,3S)-3-[[(2R)-2-aminopentanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322988
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-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid (CID 114173475) is cis-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid is CCNCC(C)C(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is QYTYEPPGLVFKPK-XVBQNVSMSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-13-7-8(2)11(15)14-10-5-4-9(6-10)12(16)17/h8-10,13H,3-7H2,1-2H3,(H,14,15)(H,16,17)/t8?,9-,10+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[[3-(ethylamino)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114173475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).