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

C7H13N3O5 — CID 80757084

IUPAC(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid
SMILESCC(NC(=O)N[C@H](CO)C(=O)O)C(N)=O
InChIInChI=1S/C7H13N3O5/c1-3(5(8)12)9-7(15)10-4(2-11)6(13)14/h3-4,11H,2H2,1H3,(H2,8,12)(H,13,14)(H2,9,10,15)/t3?,4-/m1/s1
InChIKeyVMTJQHUXBQVIDJ-SRBOSORUSA-N
MW219.20 g/mol
LogP-2.40
Rot. Bonds5

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

(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid (PubChem CID 80757084) has the molecular formula C7H13N3O5 and a molecular weight of 219.20 g/mol. Its IUPAC name is (2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid
PubChem CID80757084
Molecular FormulaC7H13N3O5
Molecular Weight219.20 g/mol
Exact Mass219.09
IUPAC Name(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid
SMILESCC(NC(=O)N[C@H](CO)C(=O)O)C(N)=O
InChIInChI=1S/C7H13N3O5/c1-3(5(8)12)9-7(15)10-4(2-11)6(13)14/h3-4,11H,2H2,1H3,(H2,8,12)(H,13,14)(H2,9,10,15)/t3?,4-/m1/s1
InChIKeyVMTJQHUXBQVIDJ-SRBOSORUSA-N
XLogP-2.40
TPSA141.75 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 5-2.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid
CID 80757457
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 61227753
(2R)-2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 106346749
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methoxypropanoic acid
CID 81085433
(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 114005417
3-hydroxy-2-(5-methylhexan-2-ylcarbamoylamino)propanoic acid
CID 63927768
(2S)-2-[[(1S)-1-carboxyethyl]carbamoylamino]-4-methylpentanedioic acid
CID 167021445
(2S)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-methylbutanoic acid
CID 61203178
(2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid
CID 80750743
2-(ethylcarbamoylamino)propanamide
CID 115582785
2-(1-carboxyethylcarbamoylamino)propanoic acid
CID 14332788
(2R)-2-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80751039

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid (CID 80757084) is (2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid is CC(NC(=O)N[C@H](CO)C(=O)O)C(N)=O.
What is the InChIKey of (2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid?
The InChIKey is VMTJQHUXBQVIDJ-SRBOSORUSA-N. The full InChI is InChI=1S/C7H13N3O5/c1-3(5(8)12)9-7(15)10-4(2-11)6(13)14/h3-4,11H,2H2,1H3,(H2,8,12)(H,13,14)(H2,9,10,15)/t3?,4-/m1/s1.
What are the key properties of (2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid?
(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid has a molecular weight of 219.20 g/mol, XLogP of -2.40, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80757084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).