4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoic acid

C8H16N2O4 — CID 103102939

IUPAC4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoic acid
SMILESCCN(CC(N)=O)CC(O)CC(=O)O
InChIInChI=1S/C8H16N2O4/c1-2-10(5-7(9)12)4-6(11)3-8(13)14/h6,11H,2-5H2,1H3,(H2,9,12)(H,13,14)
InChIKeyJJZLVOCTHNYWPQ-UHFFFAOYSA-N
MW204.23 g/mol
LogP-1.37
Rot. Bonds7

About 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoic acid

4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoic acid (PubChem CID 103102939) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoic acid
PubChem CID103102939
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoic acid
SMILESCCN(CC(N)=O)CC(O)CC(=O)O
InChIInChI=1S/C8H16N2O4/c1-2-10(5-7(9)12)4-6(11)3-8(13)14/h6,11H,2-5H2,1H3,(H2,9,12)(H,13,14)
InChIKeyJJZLVOCTHNYWPQ-UHFFFAOYSA-N
XLogP-1.37
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoate
CID 103102950
2-[ethyl(2-oxopropyl)amino]acetamide
CID 103103058
4-[2-(dimethylamino)ethyl-propylamino]-3-hydroxybutanoic acid
CID 82769678
2-[(2-amino-2-oxoethyl)-[2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]butyl]amino]acetic acid
CID 23422364
3-[(2-amino-2-oxoethyl)-[3-(diethylamino)propyl]amino]-2-methylpropanoic acid
CID 82326827
2-[ethyl(2-methylpropyl)amino]acetic acid
CID 43273893
2-[3-(diethylamino)propyl-ethylamino]acetamide
CID 102996272
3-amino-4-[(2-amino-2-oxoethyl)-ethylamino]-4-oxobutanoic acid
CID 103102001
4-[cyclopropylmethyl(propyl)amino]-3-hydroxybutanoic acid
CID 82770458
2-[(2-amino-2-hydroxyethyl)-(2-amino-2-oxoethyl)amino]acetamide
CID 134250575
3-hydroxy-4-[2-hydroxypropyl(methyl)amino]butanoic acid
CID 82768960
2-[[3-[bis(carboxymethyl)amino]-2-hydroxypropyl]-(2-oxopropyl)amino]acetic acid
CID 158317116

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoic acid?
The IUPAC name of 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoic acid (CID 103102939) is 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoic acid?
The canonical SMILES for 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoic acid is CCN(CC(N)=O)CC(O)CC(=O)O.
What is the InChIKey of 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoic acid?
The InChIKey is JJZLVOCTHNYWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-2-10(5-7(9)12)4-6(11)3-8(13)14/h6,11H,2-5H2,1H3,(H2,9,12)(H,13,14).
What are the key properties of 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoic acid?
4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoic acid has a molecular weight of 204.23 g/mol, XLogP of -1.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-2-oxoethyl)-ethylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 103102939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).