2-amino-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid

C10H18N2O3S — CID 43176432

IUPAC2-amino-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid
SMILESNC(CSCC(=O)NC1CCCC1)C(=O)O
InChIInChI=1S/C10H18N2O3S/c11-8(10(14)15)5-16-6-9(13)12-7-3-1-2-4-7/h7-8H,1-6,11H2,(H,12,13)(H,14,15)
InChIKeyHPNZOPABKSKAHD-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.19
Rot. Bonds6

About 2-amino-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid

2-amino-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid (PubChem CID 43176432) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-amino-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid
PubChem CID43176432
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC Name2-amino-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid
SMILESNC(CSCC(=O)NC1CCCC1)C(=O)O
InChIInChI=1S/C10H18N2O3S/c11-8(10(14)15)5-16-6-9(13)12-7-3-1-2-4-7/h7-8H,1-6,11H2,(H,12,13)(H,14,15)
InChIKeyHPNZOPABKSKAHD-UHFFFAOYSA-N
XLogP0.19
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[2-(cyclopropylcarbamoylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 43385362
(2S)-2-amino-3-[3-(cyclopropylamino)-3-oxopropyl]sulfanylpropanoic acid
CID 107773263
(2R)-2-acetamido-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid
CID 107774237
2-amino-4-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanylbutanoic acid
CID 60930347
(2R)-2-amino-3-[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]sulfanylpropanoic acid
CID 61142278
N-cyclohexyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66105990
N-cycloheptyl-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66105597
2-(3-aminobutylsulfanyl)-N-cycloheptylacetamide
CID 66232120
2-amino-3-[1-(cyclohexylamino)-1-oxopropan-2-yl]sulfanylpropanoic acid
CID 43385473
2-(2-amino-2-methylpropyl)sulfanyl-N-cyclopentylacetamide
CID 66221452
2-(2-amino-2-methylpropyl)sulfanyl-N-cyclohexylacetamide
CID 66223801
3-(2-aminobutylsulfanyl)-N-cyclohexylpropanamide
CID 66228468

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid?
The IUPAC name of 2-amino-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid (CID 43176432) is 2-amino-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid.
What is the SMILES notation for 2-amino-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid?
The canonical SMILES for 2-amino-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid is NC(CSCC(=O)NC1CCCC1)C(=O)O.
What is the InChIKey of 2-amino-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid?
The InChIKey is HPNZOPABKSKAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c11-8(10(14)15)5-16-6-9(13)12-7-3-1-2-4-7/h7-8H,1-6,11H2,(H,12,13)(H,14,15).
What are the key properties of 2-amino-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid?
2-amino-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid has a molecular weight of 246.33 g/mol, XLogP of 0.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(cyclopentylamino)-2-oxoethyl]sulfanylpropanoic acid is sourced from PubChem (CID 43176432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).