(4S)-4-amino-5-(ethylamino)-5-oxopentanoic acid

C7H14N2O3 — CID 10419666

IUPAC(4S)-4-amino-5-(ethylamino)-5-oxopentanoic acid
SMILESCCNC(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C7H14N2O3/c1-2-9-7(12)5(8)3-4-6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11)/t5-/m0/s1
InChIKeySRIIMQZWRXQOGT-YFKPBYRVSA-N
MW174.20 g/mol
LogP-0.69
Rot. Bonds5

About (4S)-4-amino-5-(ethylamino)-5-oxopentanoic acid

(4S)-4-amino-5-(ethylamino)-5-oxopentanoic acid (PubChem CID 10419666) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (4S)-4-amino-5-(ethylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(4S)-4-amino-5-(ethylamino)-5-oxopentanoic acid
PubChem CID10419666
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(4S)-4-amino-5-(ethylamino)-5-oxopentanoic acid
SMILESCCNC(=O)[C@@H](N)CCC(=O)O
InChIInChI=1S/C7H14N2O3/c1-2-9-7(12)5(8)3-4-6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11)/t5-/m0/s1
InChIKeySRIIMQZWRXQOGT-YFKPBYRVSA-N
XLogP-0.69
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Aceglutamide
CID 182230
L-Theanine
CID 439378
L-Alanyl-L-Glutamine
CID 123935
Glycyl-L-glutamine
CID 123913
4-Carbamoyl-2-acetamidobutanoic acid
CID 25561
Glu-Glu
CID 439500
Glu-Lys
CID 7015704
L-gamma-glutamyl-L-glutamic acid
CID 92865
Gln-Gln
CID 7010588
gamma-Glutamyl-alpha-aminobutyrate
CID 7014903
Gamma-Glutamylalanine
CID 440103
Ophthalmic acid
CID 7018721

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-(ethylamino)-5-oxopentanoic acid?
The IUPAC name of (4S)-4-amino-5-(ethylamino)-5-oxopentanoic acid (CID 10419666) is (4S)-4-amino-5-(ethylamino)-5-oxopentanoic acid.
What is the SMILES notation for (4S)-4-amino-5-(ethylamino)-5-oxopentanoic acid?
The canonical SMILES for (4S)-4-amino-5-(ethylamino)-5-oxopentanoic acid is CCNC(=O)[C@@H](N)CCC(=O)O.
What is the InChIKey of (4S)-4-amino-5-(ethylamino)-5-oxopentanoic acid?
The InChIKey is SRIIMQZWRXQOGT-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-2-9-7(12)5(8)3-4-6(10)11/h5H,2-4,8H2,1H3,(H,9,12)(H,10,11)/t5-/m0/s1.
What are the key properties of (4S)-4-amino-5-(ethylamino)-5-oxopentanoic acid?
(4S)-4-amino-5-(ethylamino)-5-oxopentanoic acid has a molecular weight of 174.20 g/mol, XLogP of -0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-(ethylamino)-5-oxopentanoic acid is sourced from PubChem (CID 10419666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).