2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methoxypropanoic acid

C8H15N3O5 — CID 81085433

IUPAC2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)NC(C)C(N)=O)C(=O)O
InChIInChI=1S/C8H15N3O5/c1-4(6(9)12)10-8(15)11-5(3-16-2)7(13)14/h4-5H,3H2,1-2H3,(H2,9,12)(H,13,14)(H2,10,11,15)
InChIKeyYCMWCGVZFCGQDH-UHFFFAOYSA-N
MW233.22 g/mol
LogP-1.74
Rot. Bonds6

About 2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methoxypropanoic acid

2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methoxypropanoic acid (PubChem CID 81085433) has the molecular formula C8H15N3O5 and a molecular weight of 233.22 g/mol. Its IUPAC name is 2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methoxypropanoic acid.

Molecular Properties

Compound Name2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methoxypropanoic acid
PubChem CID81085433
Molecular FormulaC8H15N3O5
Molecular Weight233.22 g/mol
Exact Mass233.10
IUPAC Name2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methoxypropanoic acid
SMILESCOCC(NC(=O)NC(C)C(N)=O)C(=O)O
InChIInChI=1S/C8H15N3O5/c1-4(6(9)12)10-8(15)11-5(3-16-2)7(13)14/h4-5H,3H2,1-2H3,(H2,9,12)(H,13,14)(H2,10,11,15)
InChIKeyYCMWCGVZFCGQDH-UHFFFAOYSA-N
XLogP-1.74
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-1.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 80757084
(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 114005417
3-methoxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]propanoic acid
CID 81083929
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 61227753
2-(butan-2-ylcarbamoylamino)-3-methoxypropanoic acid
CID 81084433
(2R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid
CID 80757457
3-methoxy-2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 81085452
2-(ethylcarbamoylamino)-3-methoxypropanoic acid
CID 81076919
(2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid
CID 107566492
2-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]-3-methoxypropanoic acid
CID 114143079
3-methoxy-2-(2-methylpropoxycarbonylamino)propanoic acid
CID 81076672
(2R)-5-amino-2-(1-methoxypropan-2-ylcarbamoylamino)-5-oxopentanoic acid
CID 107830456

Frequently Asked Questions

What is the IUPAC name of 2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methoxypropanoic acid?
The IUPAC name of 2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methoxypropanoic acid (CID 81085433) is 2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methoxypropanoic acid.
What is the SMILES notation for 2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methoxypropanoic acid?
The canonical SMILES for 2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methoxypropanoic acid is COCC(NC(=O)NC(C)C(N)=O)C(=O)O.
What is the InChIKey of 2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methoxypropanoic acid?
The InChIKey is YCMWCGVZFCGQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O5/c1-4(6(9)12)10-8(15)11-5(3-16-2)7(13)14/h4-5H,3H2,1-2H3,(H2,9,12)(H,13,14)(H2,10,11,15).
What are the key properties of 2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methoxypropanoic acid?
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methoxypropanoic acid has a molecular weight of 233.22 g/mol, XLogP of -1.74, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methoxypropanoic acid is sourced from PubChem (CID 81085433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).