(2S)-4-amino-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid

C11H21N3O5 — CID 82951704

IUPAC(2S)-4-amino-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCOCCN(C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C
InChIInChI=1S/C11H21N3O5/c1-7(2)14(4-5-19-3)11(18)13-8(10(16)17)6-9(12)15/h7-8H,4-6H2,1-3H3,(H2,12,15)(H,13,18)(H,16,17)/t8-/m0/s1
InChIKeyVKPNWGLVYUKLRA-QMMMGPOBSA-N
MW275.31 g/mol
LogP-0.62
Rot. Bonds8

About (2S)-4-amino-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid

(2S)-4-amino-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid (PubChem CID 82951704) has the molecular formula C11H21N3O5 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2S)-4-amino-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
PubChem CID82951704
Molecular FormulaC11H21N3O5
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name(2S)-4-amino-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
SMILESCOCCN(C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C
InChIInChI=1S/C11H21N3O5/c1-7(2)14(4-5-19-3)11(18)13-8(10(16)17)6-9(12)15/h7-8H,4-6H2,1-3H3,(H2,12,15)(H,13,18)(H,16,17)/t8-/m0/s1
InChIKeyVKPNWGLVYUKLRA-QMMMGPOBSA-N
XLogP-0.62
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-4-amino-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 82951243
(2S)-4-amino-2-[[3-hydroxypropyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 63719398
(2S)-4-amino-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 63716409
(2S)-4-amino-4-oxo-2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 63719033
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81086150
2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81084788
2-cyclopropyl-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetic acid
CID 82951883
3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]hexanoic acid
CID 82951881
(2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid
CID 107827085
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755955
(2R)-4-amino-2-[(2-amino-4-methoxybutanoyl)amino]-4-oxobutanoic acid
CID 107824480
4-amino-2-[(2-amino-4-methoxybutanoyl)amino]-4-oxobutanoic acid
CID 55080631

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid (CID 82951704) is (2S)-4-amino-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid is COCCN(C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C.
What is the InChIKey of (2S)-4-amino-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid?
The InChIKey is VKPNWGLVYUKLRA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H21N3O5/c1-7(2)14(4-5-19-3)11(18)13-8(10(16)17)6-9(12)15/h7-8H,4-6H2,1-3H3,(H2,12,15)(H,13,18)(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-4-amino-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid?
(2S)-4-amino-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid has a molecular weight of 275.31 g/mol, XLogP of -0.62, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 82951704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).