4-methylpentyl 2-(ethoxycarbonylamino)pentanoate

C14H27NO4 — CID 91718582

IUPAC4-methylpentyl 2-(ethoxycarbonylamino)pentanoate
SMILESCCCC(NC(=O)OCC)C(=O)OCCCC(C)C
InChIInChI=1S/C14H27NO4/c1-5-8-12(15-14(17)18-6-2)13(16)19-10-7-9-11(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)
InChIKeyLDLKTQPBJBFNBN-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.88
Rot. Bonds9

About 4-methylpentyl 2-(ethoxycarbonylamino)pentanoate

4-methylpentyl 2-(ethoxycarbonylamino)pentanoate (PubChem CID 91718582) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is 4-methylpentyl 2-(ethoxycarbonylamino)pentanoate.

Molecular Properties

Compound Name4-methylpentyl 2-(ethoxycarbonylamino)pentanoate
PubChem CID91718582
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Name4-methylpentyl 2-(ethoxycarbonylamino)pentanoate
SMILESCCCC(NC(=O)OCC)C(=O)OCCCC(C)C
InChIInChI=1S/C14H27NO4/c1-5-8-12(15-14(17)18-6-2)13(16)19-10-7-9-11(3)4/h11-12H,5-10H2,1-4H3,(H,15,17)
InChIKeyLDLKTQPBJBFNBN-UHFFFAOYSA-N
XLogP2.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methylpentyl 2-(ethoxycarbonylamino)pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

L-Leucine, N-((1,1-dimethylethoxy)carbonyl)-
CID 83170
2-((Tert-butoxycarbonyl)amino)-4-methylpentanoic acid
CID 268473
tert-Butoxycarbonyl-D-leucine
CID 637604
N-Boc-L-Leucine Hydrate
CID 12373896
Boc-DL-leu-OH H2O
CID 16682082
(S)-2-[3-(3-Butoxy-propyl)-ureido]-3-methyl-pentanoic acid methyl ester
CID 16682459
N-(tert-Butoxycarbonyl)-L-leucine methyl ester
CID 10879384
(S)-2-[3-(3-Ethoxy-propyl)-ureido]-3-methyl-pentanoic acid methyl ester
CID 16682480
Methyl N-acetyl-L-leucinate
CID 6950952
N-(ethoxycarbonyl)-L-leucine
CID 10631973
(S)-4-isopropyloxazolidine-2,5-dione
CID 100167
methyl (2S)-2-[[2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoate
CID 103954779

Frequently Asked Questions

What is the IUPAC name of 4-methylpentyl 2-(ethoxycarbonylamino)pentanoate?
The IUPAC name of 4-methylpentyl 2-(ethoxycarbonylamino)pentanoate (CID 91718582) is 4-methylpentyl 2-(ethoxycarbonylamino)pentanoate.
What is the SMILES notation for 4-methylpentyl 2-(ethoxycarbonylamino)pentanoate?
The canonical SMILES for 4-methylpentyl 2-(ethoxycarbonylamino)pentanoate is CCCC(NC(=O)OCC)C(=O)OCCCC(C)C.
What is the InChIKey of 4-methylpentyl 2-(ethoxycarbonylamino)pentanoate?
The InChIKey is LDLKTQPBJBFNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-5-8-12(15-14(17)18-6-2)13(16)19-10-7-9-11(3)4/h11-12H,5-10H2,1-4H3,(H,15,17).
What are the key properties of 4-methylpentyl 2-(ethoxycarbonylamino)pentanoate?
4-methylpentyl 2-(ethoxycarbonylamino)pentanoate has a molecular weight of 273.37 g/mol, XLogP of 2.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpentyl 2-(ethoxycarbonylamino)pentanoate is sourced from PubChem (CID 91718582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).