4-amino-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid

C10H19N3O5 — CID 61426093

IUPAC4-amino-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCCCN(CCO)C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-2-3-13(4-5-14)10(18)12-7(9(16)17)6-8(11)15/h7,14H,2-6H2,1H3,(H2,11,15)(H,12,18)(H,16,17)
InChIKeyNXTUOJGRCZQCQH-UHFFFAOYSA-N
MW261.28 g/mol
LogP-1.27
Rot. Bonds8

About 4-amino-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid

4-amino-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid (PubChem CID 61426093) has the molecular formula C10H19N3O5 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-amino-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid
PubChem CID61426093
Molecular FormulaC10H19N3O5
Molecular Weight261.28 g/mol
Exact Mass261.13
IUPAC Name4-amino-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCCCN(CCO)C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C10H19N3O5/c1-2-3-13(4-5-14)10(18)12-7(9(16)17)6-8(11)15/h7,14H,2-6H2,1H3,(H2,11,15)(H,12,18)(H,16,17)
InChIKeyNXTUOJGRCZQCQH-UHFFFAOYSA-N
XLogP-1.27
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 5-1.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-amino-2-[[cyclopropylmethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63717362
(2R)-2-(dipropylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825581
(2R)-4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107825753
4-amino-2-[[butyl(ethyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61186230
(2S)-2-[[butyl(2-hydroxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305116
(2S)-2-[bis(2-hydroxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61233954
2-[bis(2-hydroxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61233586
4-amino-2-[[methyl(pentyl)carbamoyl]amino]-4-oxobutanoic acid
CID 61198911
(2R)-4-amino-2-[[methyl(pentyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826113
(2R)-2-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 114005579
(2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid
CID 113467934
(2S)-4-amino-2-[[ethyl(2-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid
CID 79470692

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid (CID 61426093) is 4-amino-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid is CCCN(CCO)C(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid?
The InChIKey is NXTUOJGRCZQCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O5/c1-2-3-13(4-5-14)10(18)12-7(9(16)17)6-8(11)15/h7,14H,2-6H2,1H3,(H2,11,15)(H,12,18)(H,16,17).
What are the key properties of 4-amino-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid?
4-amino-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid has a molecular weight of 261.28 g/mol, XLogP of -1.27, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[2-hydroxyethyl(propyl)carbamoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 61426093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).