2-[[2-hydroxyethyl(3-methylbutyl)carbamoyl]amino]acetic acid

C10H20N2O4 — CID 22722873

IUPAC2-[[2-hydroxyethyl(3-methylbutyl)carbamoyl]amino]acetic acid
SMILESCC(C)CCN(CCO)C(=O)NCC(=O)O
InChIInChI=1S/C10H20N2O4/c1-8(2)3-4-12(5-6-13)10(16)11-7-9(14)15/h8,13H,3-7H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyINXJTKNSNXDADX-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.12
Rot. Bonds7

About 2-[[2-hydroxyethyl(3-methylbutyl)carbamoyl]amino]acetic acid

2-[[2-hydroxyethyl(3-methylbutyl)carbamoyl]amino]acetic acid (PubChem CID 22722873) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[[2-hydroxyethyl(3-methylbutyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-hydroxyethyl(3-methylbutyl)carbamoyl]amino]acetic acid
PubChem CID22722873
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name2-[[2-hydroxyethyl(3-methylbutyl)carbamoyl]amino]acetic acid
SMILESCC(C)CCN(CCO)C(=O)NCC(=O)O
InChIInChI=1S/C10H20N2O4/c1-8(2)3-4-12(5-6-13)10(16)11-7-9(14)15/h8,13H,3-7H2,1-2H3,(H,11,16)(H,14,15)
InChIKeyINXJTKNSNXDADX-UHFFFAOYSA-N
XLogP0.12
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[bis(2-hydroxyethyl)carbamoylamino]-3-methylbutanoic acid
CID 81069035
(2R)-2-[bis(3-methylbutyl)carbamoylamino]-3-hydroxypropanoic acid
CID 107870556
2-hydroxyethyl(2-methylpropyl)carbamic acid
CID 174562552
2-[[ethyl(propyl)carbamoyl]amino]acetic acid
CID 43445697
ethanol;2-[3-[2-hydroxyethyl(propanoyl)amino]propanoylamino]acetic acid;2-methylpropane
CID 163239020
(2S)-2-[[2-hydroxyethyl(3-methylbutyl)carbamoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 59923443
3-[[ethyl(2-hydroxyethyl)carbamoyl]amino]butanoic acid
CID 61208407
2-[[2-hydroxyethyl(3-methylbutyl)carbamoyl]amino]-3-(4-nitrophenyl)propanoic acid
CID 22722710
(2S)-2-[bis(2-hydroxyethyl)carbamoylamino]-3-methylbutanoic acid
CID 61235989
3-[3-methylbutanoyl(3-methylbutyl)amino]propanoic acid
CID 82324105
2-[ethyl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184764
ethane;N-(2-hydroxyethyl)-N-(2-methylpropyl)acetamide
CID 177048994

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxyethyl(3-methylbutyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[[2-hydroxyethyl(3-methylbutyl)carbamoyl]amino]acetic acid (CID 22722873) is 2-[[2-hydroxyethyl(3-methylbutyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-hydroxyethyl(3-methylbutyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-hydroxyethyl(3-methylbutyl)carbamoyl]amino]acetic acid is CC(C)CCN(CCO)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-hydroxyethyl(3-methylbutyl)carbamoyl]amino]acetic acid?
The InChIKey is INXJTKNSNXDADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-8(2)3-4-12(5-6-13)10(16)11-7-9(14)15/h8,13H,3-7H2,1-2H3,(H,11,16)(H,14,15).
What are the key properties of 2-[[2-hydroxyethyl(3-methylbutyl)carbamoyl]amino]acetic acid?
2-[[2-hydroxyethyl(3-methylbutyl)carbamoyl]amino]acetic acid has a molecular weight of 232.28 g/mol, XLogP of 0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxyethyl(3-methylbutyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 22722873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).