2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]-4-methylpentanoic acid

C12H24N2O4 — CID 82042455

IUPAC2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]-4-methylpentanoic acid
SMILESCCN(CCO)CC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-4-14(5-6-15)8-11(16)13-10(12(17)18)7-9(2)3/h9-10,15H,4-8H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyUYJDPJOOHDSYIG-UHFFFAOYSA-N
MW260.33 g/mol
LogP-0.08
Rot. Bonds9

About 2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]-4-methylpentanoic acid

2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]-4-methylpentanoic acid (PubChem CID 82042455) has the molecular formula C12H24N2O4 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]-4-methylpentanoic acid
PubChem CID82042455
Molecular FormulaC12H24N2O4
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]-4-methylpentanoic acid
SMILESCCN(CCO)CC(=O)NC(CC(C)C)C(=O)O
InChIInChI=1S/C12H24N2O4/c1-4-14(5-6-15)8-11(16)13-10(12(17)18)7-9(2)3/h9-10,15H,4-8H2,1-3H3,(H,13,16)(H,17,18)
InChIKeyUYJDPJOOHDSYIG-UHFFFAOYSA-N
XLogP-0.08
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl(2-hydroxyethyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 60685750
(2R)-2-[[ethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976504
(2S)-2-[[2-[acetyl(methyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 61155503
(2S)-2-(3,4-dimethylpentanoylamino)-4-methylpentanoic acid
CID 119361522
(2S)-2-[(2-chloroacetyl)amino]-4-methylpentanoic acid
CID 2795110
2-(dimethylcarbamoylamino)-4-methylpentanoic acid
CID 61194019
(2S)-2-(3-ethylpentanoylamino)-4-methylpentanoic acid
CID 119361583
(2R)-2-[[ethyl(propan-2-yl)carbamoyl]amino]-4-methylpentanoic acid
CID 78976183
(2S)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-4-methylpentanoic acid
CID 107481610
(2S)-2-(3-aminobutanoylamino)-4-methylpentanoic acid
CID 56645624
(2S)-2-(acetyl(15N)amino)-4-methylpentanoic acid
CID 102053397
2-[2-hydroxyethyl(propyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 60691833

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]-4-methylpentanoic acid?
The IUPAC name of 2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]-4-methylpentanoic acid (CID 82042455) is 2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]-4-methylpentanoic acid?
The canonical SMILES for 2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]-4-methylpentanoic acid is CCN(CCO)CC(=O)NC(CC(C)C)C(=O)O.
What is the InChIKey of 2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]-4-methylpentanoic acid?
The InChIKey is UYJDPJOOHDSYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O4/c1-4-14(5-6-15)8-11(16)13-10(12(17)18)7-9(2)3/h9-10,15H,4-8H2,1-3H3,(H,13,16)(H,17,18).
What are the key properties of 2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]-4-methylpentanoic acid?
2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]-4-methylpentanoic acid has a molecular weight of 260.33 g/mol, XLogP of -0.08, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[ethyl(2-hydroxyethyl)amino]acetyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 82042455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).