methyl 4-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-2,2-dimethylbutanoate

C14H28N2O2 — CID 143114753

IUPACmethyl 4-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-2,2-dimethylbutanoate
SMILESC=C(NCCC(C)(C)C(=O)OC)[C@@H](N)CC(C)C
InChIInChI=1S/C14H28N2O2/c1-10(2)9-12(15)11(3)16-8-7-14(4,5)13(17)18-6/h10,12,16H,3,7-9,15H2,1-2,4-6H3/t12-/m0/s1
InChIKeyOWPBXUTUXVRUTC-LBPRGKRZSA-N
MW256.39 g/mol
LogP2.05
Rot. Bonds8

About methyl 4-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-2,2-dimethylbutanoate

methyl 4-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-2,2-dimethylbutanoate (PubChem CID 143114753) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is methyl 4-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-2,2-dimethylbutanoate.

Molecular Properties

Compound Namemethyl 4-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-2,2-dimethylbutanoate
PubChem CID143114753
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Namemethyl 4-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-2,2-dimethylbutanoate
SMILESC=C(NCCC(C)(C)C(=O)OC)[C@@H](N)CC(C)C
InChIInChI=1S/C14H28N2O2/c1-10(2)9-12(15)11(3)16-8-7-14(4,5)13(17)18-6/h10,12,16H,3,7-9,15H2,1-2,4-6H3/t12-/m0/s1
InChIKeyOWPBXUTUXVRUTC-LBPRGKRZSA-N
XLogP2.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-2,2-dimethylbutanoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-[(2-amino-4-methylpentanoyl)amino]-2,2-dimethylpropanoate
CID 113266912
methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethylbutanoate
CID 54046049
(2R)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide
CID 104903471
2-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-N-(2-oxopropyl)acetamide
CID 89028843
dimethyl 7-hydroxy-2,2,12,12-tetramethyltridecanedioate
CID 59660139
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060
dimethyl 2-(1-aminoethyl)-2-methylpropanedioate
CID 154853473
methyl 2,2-dimethyl-5-propan-2-yloxypentanoate
CID 59323556
(2R)-2-amino-N-[2-(2-methoxyethoxy)ethyl]-4-methylpentanamide
CID 104903353
2-amino-N-(2-methoxy-2-methylpropyl)-4-methylpentanamide
CID 115739650
azanium methyl 2,2-dimethyloctadecanoate
CID 22238515
methyl 5-methoxy-2,2-dimethylpentanoate
CID 89066099

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-2,2-dimethylbutanoate?
The IUPAC name of methyl 4-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-2,2-dimethylbutanoate (CID 143114753) is methyl 4-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-2,2-dimethylbutanoate.
What is the SMILES notation for methyl 4-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-2,2-dimethylbutanoate?
The canonical SMILES for methyl 4-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-2,2-dimethylbutanoate is C=C(NCCC(C)(C)C(=O)OC)[C@@H](N)CC(C)C.
What is the InChIKey of methyl 4-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-2,2-dimethylbutanoate?
The InChIKey is OWPBXUTUXVRUTC-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-10(2)9-12(15)11(3)16-8-7-14(4,5)13(17)18-6/h10,12,16H,3,7-9,15H2,1-2,4-6H3/t12-/m0/s1.
What are the key properties of methyl 4-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-2,2-dimethylbutanoate?
methyl 4-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-2,2-dimethylbutanoate has a molecular weight of 256.39 g/mol, XLogP of 2.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(3S)-3-amino-5-methylhex-1-en-2-yl]amino]-2,2-dimethylbutanoate is sourced from PubChem (CID 143114753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).