2-(2-aminoethylcarbamoylamino)-3-hydroxybutanoic acid

C7H15N3O4 — CID 61403091

IUPAC2-(2-aminoethylcarbamoylamino)-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)NCCN)C(=O)O
InChIInChI=1S/C7H15N3O4/c1-4(11)5(6(12)13)10-7(14)9-3-2-8/h4-5,11H,2-3,8H2,1H3,(H,12,13)(H2,9,10,14)
InChIKeyTVMPSAJLRYYSSJ-UHFFFAOYSA-N
MW205.21 g/mol
LogP-1.92
Rot. Bonds5

About 2-(2-aminoethylcarbamoylamino)-3-hydroxybutanoic acid

2-(2-aminoethylcarbamoylamino)-3-hydroxybutanoic acid (PubChem CID 61403091) has the molecular formula C7H15N3O4 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-(2-aminoethylcarbamoylamino)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-(2-aminoethylcarbamoylamino)-3-hydroxybutanoic acid
PubChem CID61403091
Molecular FormulaC7H15N3O4
Molecular Weight205.21 g/mol
Exact Mass205.11
IUPAC Name2-(2-aminoethylcarbamoylamino)-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)NCCN)C(=O)O
InChIInChI=1S/C7H15N3O4/c1-4(11)5(6(12)13)10-7(14)9-3-2-8/h4-5,11H,2-3,8H2,1H3,(H,12,13)(H2,9,10,14)
InChIKeyTVMPSAJLRYYSSJ-UHFFFAOYSA-N
XLogP-1.92
TPSA124.68 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-acetamidoethylcarbamoylamino)-3-hydroxybutanoic acid
CID 61202444
(2S)-2-(2-aminoethylcarbamoylamino)propanoic acid
CID 61403135
(2S,3R)-3-hydroxy-2-(pentylcarbamoylamino)butanoic acid
CID 104965712
(2S,3R)-2-[2-(dimethylcarbamoylamino)ethylcarbamoylamino]-3-hydroxybutanoic acid
CID 104966520
2-(2-ethylsulfonylethylcarbamoylamino)-3-hydroxybutanoic acid
CID 114111684
3-hydroxy-2-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid
CID 63227727
(2S,3R)-3-hydroxy-2-(3-sulfamoylpropylcarbamoylamino)butanoic acid
CID 104966135
(2S)-2-(3-aminopropylcarbamoylamino)-3-methylbutanoic acid
CID 62275364
(2S,3R)-3-hydroxy-2-(3-methoxypropylcarbamoylamino)butanoic acid
CID 104965839
1-(2-aminoethyl)-3-propan-2-ylurea
CID 13030915
(2S,3R)-2-[[3-(tert-butylamino)-3-oxopropyl]carbamoylamino]-3-hydroxybutanoic acid
CID 104966552
(2S,3R)-3-hydroxy-2-(3-methylsulfonylpropylcarbamoylamino)butanoic acid
CID 104966114

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylcarbamoylamino)-3-hydroxybutanoic acid?
The IUPAC name of 2-(2-aminoethylcarbamoylamino)-3-hydroxybutanoic acid (CID 61403091) is 2-(2-aminoethylcarbamoylamino)-3-hydroxybutanoic acid.
What is the SMILES notation for 2-(2-aminoethylcarbamoylamino)-3-hydroxybutanoic acid?
The canonical SMILES for 2-(2-aminoethylcarbamoylamino)-3-hydroxybutanoic acid is CC(O)C(NC(=O)NCCN)C(=O)O.
What is the InChIKey of 2-(2-aminoethylcarbamoylamino)-3-hydroxybutanoic acid?
The InChIKey is TVMPSAJLRYYSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O4/c1-4(11)5(6(12)13)10-7(14)9-3-2-8/h4-5,11H,2-3,8H2,1H3,(H,12,13)(H2,9,10,14).
What are the key properties of 2-(2-aminoethylcarbamoylamino)-3-hydroxybutanoic acid?
2-(2-aminoethylcarbamoylamino)-3-hydroxybutanoic acid has a molecular weight of 205.21 g/mol, XLogP of -1.92, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylcarbamoylamino)-3-hydroxybutanoic acid is sourced from PubChem (CID 61403091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).