2-[2-(carbamoylamino)propanoylamino]-4-hydroxybutanoic acid

C8H15N3O5 — CID 61243847

IUPAC2-[2-(carbamoylamino)propanoylamino]-4-hydroxybutanoic acid
SMILESCC(NC(N)=O)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C8H15N3O5/c1-4(10-8(9)16)6(13)11-5(2-3-12)7(14)15/h4-5,12H,2-3H2,1H3,(H,11,13)(H,14,15)(H3,9,10,16)
InChIKeyMKPGNADVLIWGAJ-UHFFFAOYSA-N
MW233.22 g/mol
LogP-2.01
Rot. Bonds6

About 2-[2-(carbamoylamino)propanoylamino]-4-hydroxybutanoic acid

2-[2-(carbamoylamino)propanoylamino]-4-hydroxybutanoic acid (PubChem CID 61243847) has the molecular formula C8H15N3O5 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-[2-(carbamoylamino)propanoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[2-(carbamoylamino)propanoylamino]-4-hydroxybutanoic acid
PubChem CID61243847
Molecular FormulaC8H15N3O5
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC Name2-[2-(carbamoylamino)propanoylamino]-4-hydroxybutanoic acid
SMILESCC(NC(N)=O)C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C8H15N3O5/c1-4(10-8(9)16)6(13)11-5(2-3-12)7(14)15/h4-5,12H,2-3H2,1H3,(H,11,13)(H,14,15)(H3,9,10,16)
InChIKeyMKPGNADVLIWGAJ-UHFFFAOYSA-N
XLogP-2.01
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-2.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-hydroxy-2-[2-(methylamino)propanoylamino]butanoic acid
CID 107824746
(2R)-2-[2-(carbamoylamino)propanoylamino]-4-methylpentanoic acid
CID 78975508
2-[[(2R)-2-aminopropanoyl]amino]-4-hydroxybutanoic acid
CID 78973168
(2S)-2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-4-hydroxybutanoic acid
CID 114004858
2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid
CID 104684708
(2R)-2-[(5-amino-2-methylpentanoyl)amino]-4-hydroxybutanoic acid
CID 107825086
(2R)-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107825208
(2S)-2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-hydroxybutanoic acid
CID 107822215
2-(carbamoylamino)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66106637
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 61227753
4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280
2-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-hydroxybutanoic acid
CID 104903232

Frequently Asked Questions

What is the IUPAC name of 2-[2-(carbamoylamino)propanoylamino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[2-(carbamoylamino)propanoylamino]-4-hydroxybutanoic acid (CID 61243847) is 2-[2-(carbamoylamino)propanoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[2-(carbamoylamino)propanoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[2-(carbamoylamino)propanoylamino]-4-hydroxybutanoic acid is CC(NC(N)=O)C(=O)NC(CCO)C(=O)O.
What is the InChIKey of 2-[2-(carbamoylamino)propanoylamino]-4-hydroxybutanoic acid?
The InChIKey is MKPGNADVLIWGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O5/c1-4(10-8(9)16)6(13)11-5(2-3-12)7(14)15/h4-5,12H,2-3H2,1H3,(H,11,13)(H,14,15)(H3,9,10,16).
What are the key properties of 2-[2-(carbamoylamino)propanoylamino]-4-hydroxybutanoic acid?
2-[2-(carbamoylamino)propanoylamino]-4-hydroxybutanoic acid has a molecular weight of 233.22 g/mol, XLogP of -2.01, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carbamoylamino)propanoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61243847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).