methyl (2S)-2-(heptan-3-ylamino)propanoate

C11H23NO2 — CID 63944927

IUPACmethyl (2S)-2-(heptan-3-ylamino)propanoate
SMILESCCCCC(CC)N[C@@H](C)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-5-7-8-10(6-2)12-9(3)11(13)14-4/h9-10,12H,5-8H2,1-4H3/t9-,10?/m0/s1
InChIKeyCDOCEUKSKDRXNW-RGURZIINSA-N
MW201.31 g/mol
LogP2.11
Rot. Bonds7

About methyl (2S)-2-(heptan-3-ylamino)propanoate

methyl (2S)-2-(heptan-3-ylamino)propanoate (PubChem CID 63944927) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl (2S)-2-(heptan-3-ylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(heptan-3-ylamino)propanoate
PubChem CID63944927
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl (2S)-2-(heptan-3-ylamino)propanoate
SMILESCCCCC(CC)N[C@@H](C)C(=O)OC
InChIInChI=1S/C11H23NO2/c1-5-7-8-10(6-2)12-9(3)11(13)14-4/h9-10,12H,5-8H2,1-4H3/t9-,10?/m0/s1
InChIKeyCDOCEUKSKDRXNW-RGURZIINSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2S)-2-(heptan-3-ylamino)propanoate 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

2-(octan-4-ylamino)propanamide
CID 103776431
N-tert-butyl-2-(heptan-3-ylamino)propanamide
CID 115714332
2-(undecan-6-ylamino)propanamide
CID 43777100
N-carbamoyl-2-(octan-4-ylamino)propanamide
CID 113249809
methyl 2-amino-3-methylheptanoate;hydrochloride
CID 175195300
methyl 2-(1-methylsulfanylbutan-2-ylamino)hexanoate
CID 103912134
methyl (2S)-2-aminohexanoate
CID 7018840
3-(heptan-3-ylamino)propanamide
CID 63944906
[4-[1-(heptan-3-ylamino)ethyl]phenyl]urea
CID 63945914
dimethyl 2-dodecylpropanedioate
CID 158514957
methyl 2-(pent-1-yn-3-ylamino)hexanoate
CID 103577889
2-[2-(heptan-3-ylamino)ethoxy]acetamide
CID 106235405

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(heptan-3-ylamino)propanoate?
The IUPAC name of methyl (2S)-2-(heptan-3-ylamino)propanoate (CID 63944927) is methyl (2S)-2-(heptan-3-ylamino)propanoate.
What is the SMILES notation for methyl (2S)-2-(heptan-3-ylamino)propanoate?
The canonical SMILES for methyl (2S)-2-(heptan-3-ylamino)propanoate is CCCCC(CC)N[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2S)-2-(heptan-3-ylamino)propanoate?
The InChIKey is CDOCEUKSKDRXNW-RGURZIINSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-7-8-10(6-2)12-9(3)11(13)14-4/h9-10,12H,5-8H2,1-4H3/t9-,10?/m0/s1.
What are the key properties of methyl (2S)-2-(heptan-3-ylamino)propanoate?
methyl (2S)-2-(heptan-3-ylamino)propanoate has a molecular weight of 201.31 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(heptan-3-ylamino)propanoate is sourced from PubChem (CID 63944927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).