(2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid

C14H28N2O3 — CID 107817439

IUPAC(2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid
SMILESCCCCC(CC)CNC(=O)N[C@H](CCC)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-4-7-9-11(6-3)10-15-14(19)16-12(8-5-2)13(17)18/h11-12H,4-10H2,1-3H3,(H,17,18)(H2,15,16,19)/t11?,12-/m1/s1
InChIKeyMTZRIOBYJZJWEG-PIJUOVFKSA-N
MW272.39 g/mol
LogP2.76
Rot. Bonds10

About (2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid

(2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid (PubChem CID 107817439) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is (2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid
PubChem CID107817439
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name(2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid
SMILESCCCCC(CC)CNC(=O)N[C@H](CCC)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-4-7-9-11(6-3)10-15-14(19)16-12(8-5-2)13(17)18/h11-12H,4-10H2,1-3H3,(H,17,18)(H2,15,16,19)/t11?,12-/m1/s1
InChIKeyMTZRIOBYJZJWEG-PIJUOVFKSA-N
XLogP2.76
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylbutylcarbamoylamino)pentanoic acid
CID 82927206
(2R)-2-(2-ethylhexylcarbamoylamino)-4-methylsulfanylbutanoic acid
CID 107817476
3-(2-ethylhexylcarbamoylamino)-2-methylpropanoic acid
CID 107817398
1-(2-ethylhexyl)-3-propan-2-ylurea
CID 78858171
(2S)-2-(2-methylbutylcarbamoylamino)hexanoic acid
CID 107146017
2-(2-methylpropylcarbamoylamino)pentanoic acid
CID 16790600
3-(2-ethylhexylcarbamoylamino)pentanoic acid
CID 114004348
(2S)-2-(ethylcarbamoylamino)hexanoic acid
CID 93057097
1-[(2R)-2-ethylhexyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 94870934
(2S)-2-(butylcarbamoylamino)hexanoic acid
CID 107144861
(2R)-2-(2-ethylbutylcarbamoylamino)butanedioic acid
CID 104874054
3-(2-ethylhexylcarbamoylamino)-2-methoxypropanoic acid
CID 106110667

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid (CID 107817439) is (2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid is CCCCC(CC)CNC(=O)N[C@H](CCC)C(=O)O.
What is the InChIKey of (2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid?
The InChIKey is MTZRIOBYJZJWEG-PIJUOVFKSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-4-7-9-11(6-3)10-15-14(19)16-12(8-5-2)13(17)18/h11-12H,4-10H2,1-3H3,(H,17,18)(H2,15,16,19)/t11?,12-/m1/s1.
What are the key properties of (2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid?
(2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid has a molecular weight of 272.39 g/mol, XLogP of 2.76, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethylhexylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 107817439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).