(2R)-2-[3-(carbamoylamino)-3-oxopropoxy]propanoic acid

C7H12N2O5 — CID 104875488

IUPAC(2R)-2-[3-(carbamoylamino)-3-oxopropoxy]propanoic acid
SMILESC[C@@H](OCCC(=O)NC(N)=O)C(=O)O
InChIInChI=1S/C7H12N2O5/c1-4(6(11)12)14-3-2-5(10)9-7(8)13/h4H,2-3H2,1H3,(H,11,12)(H3,8,9,10,13)/t4-/m1/s1
InChIKeyPLFRTXVOWSZYRN-SCSAIBSYSA-N
MW204.18 g/mol
LogP-0.94
Rot. Bonds5

About (2R)-2-[3-(carbamoylamino)-3-oxopropoxy]propanoic acid

(2R)-2-[3-(carbamoylamino)-3-oxopropoxy]propanoic acid (PubChem CID 104875488) has the molecular formula C7H12N2O5 and a molecular weight of 204.18 g/mol. Its IUPAC name is (2R)-2-[3-(carbamoylamino)-3-oxopropoxy]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[3-(carbamoylamino)-3-oxopropoxy]propanoic acid
PubChem CID104875488
Molecular FormulaC7H12N2O5
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name(2R)-2-[3-(carbamoylamino)-3-oxopropoxy]propanoic acid
SMILESC[C@@H](OCCC(=O)NC(N)=O)C(=O)O
InChIInChI=1S/C7H12N2O5/c1-4(6(11)12)14-3-2-5(10)9-7(8)13/h4H,2-3H2,1H3,(H,11,12)(H3,8,9,10,13)/t4-/m1/s1
InChIKeyPLFRTXVOWSZYRN-SCSAIBSYSA-N
XLogP-0.94
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(carbamoylamino)-3-oxopropoxy]propanoic acid?
The IUPAC name of (2R)-2-[3-(carbamoylamino)-3-oxopropoxy]propanoic acid (CID 104875488) is (2R)-2-[3-(carbamoylamino)-3-oxopropoxy]propanoic acid.
What is the SMILES notation for (2R)-2-[3-(carbamoylamino)-3-oxopropoxy]propanoic acid?
The canonical SMILES for (2R)-2-[3-(carbamoylamino)-3-oxopropoxy]propanoic acid is C[C@@H](OCCC(=O)NC(N)=O)C(=O)O.
What is the InChIKey of (2R)-2-[3-(carbamoylamino)-3-oxopropoxy]propanoic acid?
The InChIKey is PLFRTXVOWSZYRN-SCSAIBSYSA-N. The full InChI is InChI=1S/C7H12N2O5/c1-4(6(11)12)14-3-2-5(10)9-7(8)13/h4H,2-3H2,1H3,(H,11,12)(H3,8,9,10,13)/t4-/m1/s1.
What are the key properties of (2R)-2-[3-(carbamoylamino)-3-oxopropoxy]propanoic acid?
(2R)-2-[3-(carbamoylamino)-3-oxopropoxy]propanoic acid has a molecular weight of 204.18 g/mol, XLogP of -0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(carbamoylamino)-3-oxopropoxy]propanoic acid is sourced from PubChem (CID 104875488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).