(2S)-2-(ethylcarbamoylamino)hexanoic acid

C9H18N2O3 — CID 93057097

IUPAC(2S)-2-(ethylcarbamoylamino)hexanoic acid
SMILESCCCC[C@H](NC(=O)NCC)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-5-6-7(8(12)13)11-9(14)10-4-2/h7H,3-6H2,1-2H3,(H,12,13)(H2,10,11,14)/t7-/m0/s1
InChIKeyPJDLOOARUCHARM-ZETCQYMHSA-N
MW202.25 g/mol
LogP0.95
Rot. Bonds6

About (2S)-2-(ethylcarbamoylamino)hexanoic acid

(2S)-2-(ethylcarbamoylamino)hexanoic acid (PubChem CID 93057097) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2S)-2-(ethylcarbamoylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-2-(ethylcarbamoylamino)hexanoic acid
PubChem CID93057097
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(2S)-2-(ethylcarbamoylamino)hexanoic acid
SMILESCCCC[C@H](NC(=O)NCC)C(=O)O
InChIInChI=1S/C9H18N2O3/c1-3-5-6-7(8(12)13)11-9(14)10-4-2/h7H,3-6H2,1-2H3,(H,12,13)(H2,10,11,14)/t7-/m0/s1
InChIKeyPJDLOOARUCHARM-ZETCQYMHSA-N
XLogP0.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(butylcarbamoylamino)hexanoic acid
CID 107144861
(2S)-2-(prop-2-ynylcarbamoylamino)hexanoic acid
CID 107145224
(2S)-2-(2-methylbutylcarbamoylamino)hexanoic acid
CID 107146017
(2S)-2-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]hexanoic acid
CID 107146287
(2S)-2-[(3-amino-3-oxopropyl)carbamoylamino]hexanoic acid
CID 107145514
2-[(5-amino-5-oxopentyl)carbamoylamino]hexanoic acid
CID 106239123
2-[2-(methanesulfonamido)ethylcarbamoylamino]hexanoic acid
CID 61200748
(2S)-2-(3-methylsulfanylbutylcarbamoylamino)hexanoic acid
CID 107146570
(2S)-2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoylamino]hexanoic acid
CID 107145710
(2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid
CID 107817439
2-(2-methylpentan-3-ylcarbamoylamino)hexanoic acid
CID 54954839
(2S)-2-(4-methylpentan-2-ylcarbamoylamino)hexanoic acid
CID 107145488

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(ethylcarbamoylamino)hexanoic acid?
The IUPAC name of (2S)-2-(ethylcarbamoylamino)hexanoic acid (CID 93057097) is (2S)-2-(ethylcarbamoylamino)hexanoic acid.
What is the SMILES notation for (2S)-2-(ethylcarbamoylamino)hexanoic acid?
The canonical SMILES for (2S)-2-(ethylcarbamoylamino)hexanoic acid is CCCC[C@H](NC(=O)NCC)C(=O)O.
What is the InChIKey of (2S)-2-(ethylcarbamoylamino)hexanoic acid?
The InChIKey is PJDLOOARUCHARM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-3-5-6-7(8(12)13)11-9(14)10-4-2/h7H,3-6H2,1-2H3,(H,12,13)(H2,10,11,14)/t7-/m0/s1.
What are the key properties of (2S)-2-(ethylcarbamoylamino)hexanoic acid?
(2S)-2-(ethylcarbamoylamino)hexanoic acid has a molecular weight of 202.25 g/mol, XLogP of 0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(ethylcarbamoylamino)hexanoic acid is sourced from PubChem (CID 93057097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).