(2R)-2-amino-4-ethylpentanedioic acid

C7H13NO4 — CID 57469863

IUPAC(2R)-2-amino-4-ethylpentanedioic acid
SMILESCCC(C[C@@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-2-4(6(9)10)3-5(8)7(11)12/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)/t4?,5-/m1/s1
InChIKeyJPMICTZIAZZHCD-BRJRFNKRSA-N
MW175.18 g/mol
LogP-0.10
Rot. Bonds5

About (2R)-2-amino-4-ethylpentanedioic acid

(2R)-2-amino-4-ethylpentanedioic acid (PubChem CID 57469863) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is (2R)-2-amino-4-ethylpentanedioic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-ethylpentanedioic acid
PubChem CID57469863
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name(2R)-2-amino-4-ethylpentanedioic acid
SMILESCCC(C[C@@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C7H13NO4/c1-2-4(6(9)10)3-5(8)7(11)12/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)/t4?,5-/m1/s1
InChIKeyJPMICTZIAZZHCD-BRJRFNKRSA-N
XLogP-0.10
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(aminomethyl)pentanedioic acid
CID 22326353
2-aminobutanoic acid;ethane
CID 90764297
2-aminobutanoic acid;sulfane
CID 162128083
aluminum 2-aminobutanoic acid
CID 19792235
ethane;2-ethylbutanoic acid
CID 142229949
CID 123134376
CID 123134376
CID 87086045
CID 87086045
(2R)-2-amino-4-(3-chlorohexyl)pentanedioic acid
CID 175027829
2-amino-4-[(1-amino-1-carboxypentan-3-yl)disulfanyl]hexanoic acid
CID 175487973
(2S)-2-amino-4-(2,2,2-trifluoroethyl)pentanedioic acid
CID 140641389
5-amino-2-ethyl-4-methyl-5-oxopentanoic acid
CID 58612932
(2S)-2-(15N)azanyl-4-methyl(213C)pentanoic acid
CID 71309151

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-ethylpentanedioic acid?
The IUPAC name of (2R)-2-amino-4-ethylpentanedioic acid (CID 57469863) is (2R)-2-amino-4-ethylpentanedioic acid.
What is the SMILES notation for (2R)-2-amino-4-ethylpentanedioic acid?
The canonical SMILES for (2R)-2-amino-4-ethylpentanedioic acid is CCC(C[C@@H](N)C(=O)O)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-ethylpentanedioic acid?
The InChIKey is JPMICTZIAZZHCD-BRJRFNKRSA-N. The full InChI is InChI=1S/C7H13NO4/c1-2-4(6(9)10)3-5(8)7(11)12/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)/t4?,5-/m1/s1.
What are the key properties of (2R)-2-amino-4-ethylpentanedioic acid?
(2R)-2-amino-4-ethylpentanedioic acid has a molecular weight of 175.18 g/mol, XLogP of -0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-ethylpentanedioic acid is sourced from PubChem (CID 57469863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).