(2S)-2-hydroxy-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]butanoic acid

C14H20N2O5 — CID 107841438

IUPAC(2S)-2-hydroxy-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]butanoic acid
SMILESCOCCc1ccccc1NC(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C14H20N2O5/c1-21-9-7-10-4-2-3-5-11(10)16-14(20)15-8-6-12(17)13(18)19/h2-5,12,17H,6-9H2,1H3,(H,18,19)(H2,15,16,20)/t12-/m0/s1
InChIKeyXBQAWYBQWCVCLZ-LBPRGKRZSA-N
MW296.32 g/mol
LogP0.83
Rot. Bonds8

About (2S)-2-hydroxy-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]butanoic acid

(2S)-2-hydroxy-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]butanoic acid (PubChem CID 107841438) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]butanoic acid
PubChem CID107841438
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name(2S)-2-hydroxy-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]butanoic acid
SMILESCOCCc1ccccc1NC(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C14H20N2O5/c1-21-9-7-10-4-2-3-5-11(10)16-14(20)15-8-6-12(17)13(18)19/h2-5,12,17H,6-9H2,1H3,(H,18,19)(H2,15,16,20)/t12-/m0/s1
InChIKeyXBQAWYBQWCVCLZ-LBPRGKRZSA-N
XLogP0.83
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(2-methoxyethyl)phenyl]carbamoylamino]propanoic acid
CID 102907015
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
CID 18982774
4-[(2-tert-butylphenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107840119
(2S)-4-[(2-chlorophenyl)carbamoylamino]-2-hydroxybutanoic acid
CID 114006714
2-hydroxy-4-(naphthalen-1-ylcarbamoylamino)butanoic acid
CID 107835055
(2S)-2-hydroxy-4-[[2-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
CID 107835137
1-(3,3-diphenylpropyl)-3-[2-(methoxymethyl)phenyl]urea
CID 52601128
ethyl 2-[[2-(2-methoxyethyl)phenyl]carbamoylamino]acetate
CID 102907562
3-methoxy-2-[2-(2-methoxyethyl)anilino]propanoic acid
CID 103268791
2-[[2-(2-methoxyethyl)phenyl]carbamoyl-methylamino]propanoic acid
CID 102907053
(E)-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]-4-oxobut-2-enoic acid
CID 102906598
N-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide
CID 102903270

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]butanoic acid (CID 107841438) is (2S)-2-hydroxy-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]butanoic acid is COCCc1ccccc1NC(=O)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]butanoic acid?
The InChIKey is XBQAWYBQWCVCLZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-21-9-7-10-4-2-3-5-11(10)16-14(20)15-8-6-12(17)13(18)19/h2-5,12,17H,6-9H2,1H3,(H,18,19)(H2,15,16,20)/t12-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]butanoic acid?
(2S)-2-hydroxy-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]butanoic acid has a molecular weight of 296.32 g/mol, XLogP of 0.83, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[[2-(2-methoxyethyl)phenyl]carbamoylamino]butanoic acid is sourced from PubChem (CID 107841438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).