(2S)-2-amino-4-(ethylamino)pentanedioic acid

C7H14N2O4 — CID 57496198

IUPAC(2S)-2-amino-4-(ethylamino)pentanedioic acid
SMILESCCNC(C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-2-9-5(7(12)13)3-4(8)6(10)11/h4-5,9H,2-3,8H2,1H3,(H,10,11)(H,12,13)/t4-,5?/m0/s1
InChIKeyVNSXHQHNWPXQDE-ROLXFIACSA-N
MW190.20 g/mol
LogP-1.15
Rot. Bonds6

About (2S)-2-amino-4-(ethylamino)pentanedioic acid

(2S)-2-amino-4-(ethylamino)pentanedioic acid (PubChem CID 57496198) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is (2S)-2-amino-4-(ethylamino)pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-(ethylamino)pentanedioic acid
PubChem CID57496198
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Name(2S)-2-amino-4-(ethylamino)pentanedioic acid
SMILESCCNC(C[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C7H14N2O4/c1-2-9-5(7(12)13)3-4(8)6(10)11/h4-5,9H,2-3,8H2,1H3,(H,10,11)(H,12,13)/t4-,5?/m0/s1
InChIKeyVNSXHQHNWPXQDE-ROLXFIACSA-N
XLogP-1.15
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-acetyl-L-glutamic acid
CID 70914
Carglumic Acid
CID 121396
N-acetylglutamic acid
CID 185
Saccharopine
CID 160556
N-methyl-L-glutamic acid
CID 439377
Alanylglutamic acid
CID 128841
2-(Carbamoylamino)Pentanedioic Acid
CID 3679006
N-methylglutamic acid
CID 268779
cis-Azetidine-2,4-dicarboxylic acid
CID 2733517
N-acetyl-L-glutamate(2-)
CID 1549099
trans-Azetidine-2,4-dicarboxylic acid
CID 6604769
N-Formyl-L-glutamic acid
CID 439376

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(ethylamino)pentanedioic acid?
The IUPAC name of (2S)-2-amino-4-(ethylamino)pentanedioic acid (CID 57496198) is (2S)-2-amino-4-(ethylamino)pentanedioic acid.
What is the SMILES notation for (2S)-2-amino-4-(ethylamino)pentanedioic acid?
The canonical SMILES for (2S)-2-amino-4-(ethylamino)pentanedioic acid is CCNC(C[C@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-(ethylamino)pentanedioic acid?
The InChIKey is VNSXHQHNWPXQDE-ROLXFIACSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-2-9-5(7(12)13)3-4(8)6(10)11/h4-5,9H,2-3,8H2,1H3,(H,10,11)(H,12,13)/t4-,5?/m0/s1.
What are the key properties of (2S)-2-amino-4-(ethylamino)pentanedioic acid?
(2S)-2-amino-4-(ethylamino)pentanedioic acid has a molecular weight of 190.20 g/mol, XLogP of -1.15, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(ethylamino)pentanedioic acid is sourced from PubChem (CID 57496198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).