(2S)-5-amino-2-[amino(ethyl)amino]-5-oxopentanoic acid

C7H15N3O3 — CID 87997605

IUPAC(2S)-5-amino-2-[amino(ethyl)amino]-5-oxopentanoic acid
SMILESCCN(N)[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C7H15N3O3/c1-2-10(9)5(7(12)13)3-4-6(8)11/h5H,2-4,9H2,1H3,(H2,8,11)(H,12,13)/t5-/m0/s1
InChIKeyKKXYRVZYUKHMEG-YFKPBYRVSA-N
MW189.21 g/mol
LogP-1.10
Rot. Bonds6

About (2S)-5-amino-2-[amino(ethyl)amino]-5-oxopentanoic acid

(2S)-5-amino-2-[amino(ethyl)amino]-5-oxopentanoic acid (PubChem CID 87997605) has the molecular formula C7H15N3O3 and a molecular weight of 189.21 g/mol. Its IUPAC name is (2S)-5-amino-2-[amino(ethyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[amino(ethyl)amino]-5-oxopentanoic acid
PubChem CID87997605
Molecular FormulaC7H15N3O3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name(2S)-5-amino-2-[amino(ethyl)amino]-5-oxopentanoic acid
SMILESCCN(N)[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C7H15N3O3/c1-2-10(9)5(7(12)13)3-4-6(8)11/h5H,2-4,9H2,1H3,(H2,8,11)(H,12,13)/t5-/m0/s1
InChIKeyKKXYRVZYUKHMEG-YFKPBYRVSA-N
XLogP-1.10
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Aceglutamide
CID 182230
4-Carbamoyl-2-acetamidobutanoic acid
CID 25561
Linatine
CID 160920
Gamma-Glutamylmethylamide
CID 160669
N(2)-acetyl-D-glutamine
CID 444019
N-methyl-D-glutamine
CID 10986537
Linatine, (S,S)-
CID 202334
(2R)-4-carbamoyl-2-(dimethylamino)butanoic acid
CID 156113153
L-Glutamine, N-ethyl-
CID 92191
Glutamylputrescine
CID 6453601
N~2~-(2-Aminoethyl)-L-glutamine
CID 53697060
gamma-Glutamyl-1-amino-D-proline
CID 5153860

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[amino(ethyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[amino(ethyl)amino]-5-oxopentanoic acid (CID 87997605) is (2S)-5-amino-2-[amino(ethyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[amino(ethyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[amino(ethyl)amino]-5-oxopentanoic acid is CCN(N)[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[amino(ethyl)amino]-5-oxopentanoic acid?
The InChIKey is KKXYRVZYUKHMEG-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H15N3O3/c1-2-10(9)5(7(12)13)3-4-6(8)11/h5H,2-4,9H2,1H3,(H2,8,11)(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-5-amino-2-[amino(ethyl)amino]-5-oxopentanoic acid?
(2S)-5-amino-2-[amino(ethyl)amino]-5-oxopentanoic acid has a molecular weight of 189.21 g/mol, XLogP of -1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[amino(ethyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 87997605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).