(2R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid

C8H14N2O6 — CID 80757457

IUPAC(2R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid
SMILESCOC(=O)C(C)NC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C8H14N2O6/c1-4(7(14)16-2)9-8(15)10-5(3-11)6(12)13/h4-5,11H,3H2,1-2H3,(H,12,13)(H2,9,10,15)/t4?,5-/m1/s1
InChIKeyVLZXGRLPWUQGTJ-BRJRFNKRSA-N
MW234.21 g/mol
LogP-1.71
Rot. Bonds5

About (2R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid

(2R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid (PubChem CID 80757457) has the molecular formula C8H14N2O6 and a molecular weight of 234.21 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid
PubChem CID80757457
Molecular FormulaC8H14N2O6
Molecular Weight234.21 g/mol
Exact Mass234.09
IUPAC Name(2R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid
SMILESCOC(=O)C(C)NC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C8H14N2O6/c1-4(7(14)16-2)9-8(15)10-5(3-11)6(12)13/h4-5,11H,3H2,1-2H3,(H,12,13)(H2,9,10,15)/t4?,5-/m1/s1
InChIKeyVLZXGRLPWUQGTJ-BRJRFNKRSA-N
XLogP-1.71
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-1.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-3-hydroxypropanoic acid
CID 80757084
(2S)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]pentanoic acid
CID 107566492
2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]-4-methylsulfanylbutanoic acid
CID 54960068
(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
(2S)-3-hydroxy-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
CID 65048667
2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-4-hydroxybutanoic acid
CID 61227753
methyl 2-(ethylcarbamoylamino)propanoate
CID 60980356
3-hydroxy-2-(5-methylhexan-2-ylcarbamoylamino)propanoic acid
CID 63927768
(2R)-2-[(1-amino-1-oxopropan-2-yl)carbamoylamino]-5-methoxy-5-oxopentanoic acid
CID 114005417
(2S)-2-[[(1S)-1-carboxyethyl]carbamoylamino]-4-methylpentanedioic acid
CID 167021445
(2R)-3-hydroxy-2-(pentan-3-ylcarbamoylamino)propanoic acid
CID 80750743

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid (CID 80757457) is (2R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid is COC(=O)C(C)NC(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid?
The InChIKey is VLZXGRLPWUQGTJ-BRJRFNKRSA-N. The full InChI is InChI=1S/C8H14N2O6/c1-4(7(14)16-2)9-8(15)10-5(3-11)6(12)13/h4-5,11H,3H2,1-2H3,(H,12,13)(H2,9,10,15)/t4?,5-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid?
(2R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid has a molecular weight of 234.21 g/mol, XLogP of -1.71, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]propanoic acid is sourced from PubChem (CID 80757457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).