5-[carboxymethyl(3-ethylpentan-2-yl)amino]-2,4-dimethyl-5-oxopentanoic acid

C16H29NO5 — CID 54281101

IUPAC5-[carboxymethyl(3-ethylpentan-2-yl)amino]-2,4-dimethyl-5-oxopentanoic acid
SMILESCCC(CC)C(C)N(CC(=O)O)C(=O)C(C)CC(C)C(=O)O
InChIInChI=1S/C16H29NO5/c1-6-13(7-2)12(5)17(9-14(18)19)15(20)10(3)8-11(4)16(21)22/h10-13H,6-9H2,1-5H3,(H,18,19)(H,21,22)
InChIKeyKKWDGLKGBQXVCI-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.47
Rot. Bonds10

About 5-[carboxymethyl(3-ethylpentan-2-yl)amino]-2,4-dimethyl-5-oxopentanoic acid

5-[carboxymethyl(3-ethylpentan-2-yl)amino]-2,4-dimethyl-5-oxopentanoic acid (PubChem CID 54281101) has the molecular formula C16H29NO5 and a molecular weight of 315.41 g/mol. Its IUPAC name is 5-[carboxymethyl(3-ethylpentan-2-yl)amino]-2,4-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[carboxymethyl(3-ethylpentan-2-yl)amino]-2,4-dimethyl-5-oxopentanoic acid
PubChem CID54281101
Molecular FormulaC16H29NO5
Molecular Weight315.41 g/mol
Exact Mass315.20
IUPAC Name5-[carboxymethyl(3-ethylpentan-2-yl)amino]-2,4-dimethyl-5-oxopentanoic acid
SMILESCCC(CC)C(C)N(CC(=O)O)C(=O)C(C)CC(C)C(=O)O
InChIInChI=1S/C16H29NO5/c1-6-13(7-2)12(5)17(9-14(18)19)15(20)10(3)8-11(4)16(21)22/h10-13H,6-9H2,1-5H3,(H,18,19)(H,21,22)
InChIKeyKKWDGLKGBQXVCI-UHFFFAOYSA-N
XLogP2.47
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(3-ethylpentan-2-yl)-2,4-dimethylpentanamide
CID 54574815
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CID 57061099
methane;(2S)-2-methylbutanoic acid
CID 159302978
ethane;2-methylbutanoic acid
CID 87621166
iron;2-methylbutanoic acid
CID 175205801
CID 88513173
CID 88513173
bis(2-methylbutanoic acid);nickel
CID 170549792
2,4,6,8-tetramethyldecanoic acid
CID 5312348
(2R,4S,6S,8S)-2,4,6,8-tetramethyldecanoic acid
CID 163059027
2-[butan-2-yl-[3-(ethylamino)-2-methylpropanoyl]amino]acetic acid
CID 62838561
2-[3-ethylpentan-2-ylcarbamoyl(propan-2-yl)amino]acetic acid
CID 63843747
2-ethyl-4,6-dimethylheptanedioic acid
CID 156625927

Frequently Asked Questions

What is the IUPAC name of 5-[carboxymethyl(3-ethylpentan-2-yl)amino]-2,4-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[carboxymethyl(3-ethylpentan-2-yl)amino]-2,4-dimethyl-5-oxopentanoic acid (CID 54281101) is 5-[carboxymethyl(3-ethylpentan-2-yl)amino]-2,4-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[carboxymethyl(3-ethylpentan-2-yl)amino]-2,4-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[carboxymethyl(3-ethylpentan-2-yl)amino]-2,4-dimethyl-5-oxopentanoic acid is CCC(CC)C(C)N(CC(=O)O)C(=O)C(C)CC(C)C(=O)O.
What is the InChIKey of 5-[carboxymethyl(3-ethylpentan-2-yl)amino]-2,4-dimethyl-5-oxopentanoic acid?
The InChIKey is KKWDGLKGBQXVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO5/c1-6-13(7-2)12(5)17(9-14(18)19)15(20)10(3)8-11(4)16(21)22/h10-13H,6-9H2,1-5H3,(H,18,19)(H,21,22).
What are the key properties of 5-[carboxymethyl(3-ethylpentan-2-yl)amino]-2,4-dimethyl-5-oxopentanoic acid?
5-[carboxymethyl(3-ethylpentan-2-yl)amino]-2,4-dimethyl-5-oxopentanoic acid has a molecular weight of 315.41 g/mol, XLogP of 2.47, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[carboxymethyl(3-ethylpentan-2-yl)amino]-2,4-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 54281101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).