(2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid

C11H22N2O5 — CID 107840583

IUPAC(2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
SMILESCC(C)OCCN(C)C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C11H22N2O5/c1-8(2)18-7-6-13(3)11(17)12-5-4-9(14)10(15)16/h8-9,14H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t9-/m0/s1
InChIKeySTPUKQJMKTWMBZ-VIFPVBQESA-N
MW262.31 g/mol
LogP-0.11
Rot. Bonds8

About (2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid

(2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid (PubChem CID 107840583) has the molecular formula C11H22N2O5 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
PubChem CID107840583
Molecular FormulaC11H22N2O5
Molecular Weight262.31 g/mol
Exact Mass262.15
IUPAC Name(2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
SMILESCC(C)OCCN(C)C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C11H22N2O5/c1-8(2)18-7-6-13(3)11(17)12-5-4-9(14)10(15)16/h8-9,14H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t9-/m0/s1
InChIKeySTPUKQJMKTWMBZ-VIFPVBQESA-N
XLogP-0.11
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839988
3-ethyl-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 115698202
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
CID 104936189
4,4-dimethyl-2-[[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]methyl]pentanoic acid
CID 107474565
(2R)-3-methyl-2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 81061955
3-amino-1-methyl-1-(2-propan-2-yloxyethyl)urea
CID 81062243
2-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81058135
(2S)-4-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839136
4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]pentanoic acid
CID 81057575
(2S)-4-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838520
4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838885
(2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 114007339

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid (CID 107840583) is (2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid is CC(C)OCCN(C)C(=O)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid?
The InChIKey is STPUKQJMKTWMBZ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H22N2O5/c1-8(2)18-7-6-13(3)11(17)12-5-4-9(14)10(15)16/h8-9,14H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid?
(2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid has a molecular weight of 262.31 g/mol, XLogP of -0.11, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 107840583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).