(2S)-2-(3,8-dioxodecan-4-ylamino)-4-hydroxybutanoic acid

C14H25NO5 — CID 142037842

IUPAC(2S)-2-(3,8-dioxodecan-4-ylamino)-4-hydroxybutanoic acid
SMILESCCC(=O)CCCC(N[C@@H](CCO)C(=O)O)C(=O)CC
InChIInChI=1S/C14H25NO5/c1-3-10(17)6-5-7-11(13(18)4-2)15-12(8-9-16)14(19)20/h11-12,15-16H,3-9H2,1-2H3,(H,19,20)/t11?,12-/m0/s1
InChIKeyMKHWDJWLUNFBQY-KIYNQFGBSA-N
MW287.36 g/mol
LogP0.91
Rot. Bonds12

About (2S)-2-(3,8-dioxodecan-4-ylamino)-4-hydroxybutanoic acid

(2S)-2-(3,8-dioxodecan-4-ylamino)-4-hydroxybutanoic acid (PubChem CID 142037842) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is (2S)-2-(3,8-dioxodecan-4-ylamino)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-(3,8-dioxodecan-4-ylamino)-4-hydroxybutanoic acid
PubChem CID142037842
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Name(2S)-2-(3,8-dioxodecan-4-ylamino)-4-hydroxybutanoic acid
SMILESCCC(=O)CCCC(N[C@@H](CCO)C(=O)O)C(=O)CC
InChIInChI=1S/C14H25NO5/c1-3-10(17)6-5-7-11(13(18)4-2)15-12(8-9-16)14(19)20/h11-12,15-16H,3-9H2,1-2H3,(H,19,20)/t11?,12-/m0/s1
InChIKeyMKHWDJWLUNFBQY-KIYNQFGBSA-N
XLogP0.91
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid
CID 155788210
2-(1-carboxypentylamino)hexanoic acid
CID 22643835
2-(4-hydroxybutan-2-ylamino)hexanoic acid
CID 103262235
ethane;7-methyloctan-3-one
CID 142816942
7-ethylundecan-3-one
CID 64522719
2-methyl-6-oxodecanoic acid
CID 22217196
(2S)-2-(hexadecanoylamino)-4-hydroxybutanoic acid
CID 57494721
4-hydroxy-2-(nonanoylamino)butanoic acid
CID 61242764
(2S)-2-(dodecanoylamino)-4-hydroxybutanoic acid
CID 54204964
(7R,8S)-8-hydroxy-7-methylnonan-3-one
CID 122413902
2-(propan-2-ylamino)heptanoic acid
CID 43754297
2-(ethylamino)hexanedioic acid
CID 88869975

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,8-dioxodecan-4-ylamino)-4-hydroxybutanoic acid?
The IUPAC name of (2S)-2-(3,8-dioxodecan-4-ylamino)-4-hydroxybutanoic acid (CID 142037842) is (2S)-2-(3,8-dioxodecan-4-ylamino)-4-hydroxybutanoic acid.
What is the SMILES notation for (2S)-2-(3,8-dioxodecan-4-ylamino)-4-hydroxybutanoic acid?
The canonical SMILES for (2S)-2-(3,8-dioxodecan-4-ylamino)-4-hydroxybutanoic acid is CCC(=O)CCCC(N[C@@H](CCO)C(=O)O)C(=O)CC.
What is the InChIKey of (2S)-2-(3,8-dioxodecan-4-ylamino)-4-hydroxybutanoic acid?
The InChIKey is MKHWDJWLUNFBQY-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H25NO5/c1-3-10(17)6-5-7-11(13(18)4-2)15-12(8-9-16)14(19)20/h11-12,15-16H,3-9H2,1-2H3,(H,19,20)/t11?,12-/m0/s1.
What are the key properties of (2S)-2-(3,8-dioxodecan-4-ylamino)-4-hydroxybutanoic acid?
(2S)-2-(3,8-dioxodecan-4-ylamino)-4-hydroxybutanoic acid has a molecular weight of 287.36 g/mol, XLogP of 0.91, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,8-dioxodecan-4-ylamino)-4-hydroxybutanoic acid is sourced from PubChem (CID 142037842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).