cis-(1R,3S)-3-[(4-amino-4-oxobutan-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid

C11H19N3O4 — CID 114173067

IUPACcis-(1R,3S)-3-[(4-amino-4-oxobutan-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(CC(N)=O)NC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H19N3O4/c1-6(4-9(12)15)13-11(18)14-8-3-2-7(5-8)10(16)17/h6-8H,2-5H2,1H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t6?,7-,8+/m1/s1
InChIKeyCQERLYSEKUDSNH-VVXQKDJTSA-N
MW257.29 g/mol
LogP-0.20
Rot. Bonds5

About cis-(1R,3S)-3-[(4-amino-4-oxobutan-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(4-amino-4-oxobutan-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 114173067) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(4-amino-4-oxobutan-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[(4-amino-4-oxobutan-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID114173067
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Namecis-(1R,3S)-3-[(4-amino-4-oxobutan-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
SMILESCC(CC(N)=O)NC(=O)N[C@H]1CC[C@@H](C(=O)O)C1
InChIInChI=1S/C11H19N3O4/c1-6(4-9(12)15)13-11(18)14-8-3-2-7(5-8)10(16)17/h6-8H,2-5H2,1H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t6?,7-,8+/m1/s1
InChIKeyCQERLYSEKUDSNH-VVXQKDJTSA-N
XLogP-0.20
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(dimethylamino)butan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66032824
cis-(1R,3S)-3-(1-ethylsulfanylpropan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 114173670
cis-(1R,3S)-3-[1-(diethylamino)propan-2-ylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 106319618
cis-(1R,3S)-3-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 114173004
1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744558
(2R)-4-amino-2-[(3,4-dimethylcyclohexyl)carbamoylamino]-4-oxobutanoic acid
CID 107828111
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
3-(4-methylsulfanylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 113477952
3-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 102907107
3-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 106346718
cis-(1R,3S)-3-(ethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106321445

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(4-amino-4-oxobutan-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[(4-amino-4-oxobutan-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid (CID 114173067) is cis-(1R,3S)-3-[(4-amino-4-oxobutan-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[(4-amino-4-oxobutan-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[(4-amino-4-oxobutan-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid is CC(CC(N)=O)NC(=O)N[C@H]1CC[C@@H](C(=O)O)C1.
What is the InChIKey of cis-(1R,3S)-3-[(4-amino-4-oxobutan-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is CQERLYSEKUDSNH-VVXQKDJTSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-6(4-9(12)15)13-11(18)14-8-3-2-7(5-8)10(16)17/h6-8H,2-5H2,1H3,(H2,12,15)(H,16,17)(H2,13,14,18)/t6?,7-,8+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[(4-amino-4-oxobutan-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[(4-amino-4-oxobutan-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of -0.20, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[(4-amino-4-oxobutan-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114173067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).