2-amino-3-[[(1R)-1-cycloheptylethyl]amino]propanamide

C12H25N3O — CID 103257937

IUPAC2-amino-3-[[(1R)-1-cycloheptylethyl]amino]propanamide
SMILESC[C@@H](NCC(N)C(N)=O)C1CCCCCC1
InChIInChI=1S/C12H25N3O/c1-9(15-8-11(13)12(14)16)10-6-4-2-3-5-7-10/h9-11,15H,2-8,13H2,1H3,(H2,14,16)/t9-,11?/m1/s1
InChIKeyCLFRUDMNONDWGD-BFHBGLAWSA-N
MW227.35 g/mol
LogP0.75
Rot. Bonds5

About 2-amino-3-[[(1R)-1-cycloheptylethyl]amino]propanamide

2-amino-3-[[(1R)-1-cycloheptylethyl]amino]propanamide (PubChem CID 103257937) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-amino-3-[[(1R)-1-cycloheptylethyl]amino]propanamide.

Molecular Properties

Compound Name2-amino-3-[[(1R)-1-cycloheptylethyl]amino]propanamide
PubChem CID103257937
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-amino-3-[[(1R)-1-cycloheptylethyl]amino]propanamide
SMILESC[C@@H](NCC(N)C(N)=O)C1CCCCCC1
InChIInChI=1S/C12H25N3O/c1-9(15-8-11(13)12(14)16)10-6-4-2-3-5-7-10/h9-11,15H,2-8,13H2,1H3,(H2,14,16)/t9-,11?/m1/s1
InChIKeyCLFRUDMNONDWGD-BFHBGLAWSA-N
XLogP0.75
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(1-cyclopentylethylamino)propanoic acid
CID 103251923
2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81392535
N-carbamoyl-2-[[(1R)-1-cycloheptylethyl]amino]acetamide
CID 81393673
2-amino-3-(cycloheptylamino)propanamide
CID 103237250
2-amino-3-(cyclooctylamino)propanamide
CID 103233108
(2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol
CID 94524291
lithium;2-cyclohexylpropanamide;hydride
CID 173193796
ethyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81385124
3-[[(1S)-1-cycloheptylethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 81391679
N-[(1R)-1-cyclopentylethyl]-2-methylpropan-1-amine
CID 81394382
2-(1-cyclopentylethylamino)ethylurea
CID 83111257
tert-butyl 2-[[(1S)-1-cyclohexylethyl]amino]acetate
CID 81384159

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[(1R)-1-cycloheptylethyl]amino]propanamide?
The IUPAC name of 2-amino-3-[[(1R)-1-cycloheptylethyl]amino]propanamide (CID 103257937) is 2-amino-3-[[(1R)-1-cycloheptylethyl]amino]propanamide.
What is the SMILES notation for 2-amino-3-[[(1R)-1-cycloheptylethyl]amino]propanamide?
The canonical SMILES for 2-amino-3-[[(1R)-1-cycloheptylethyl]amino]propanamide is C[C@@H](NCC(N)C(N)=O)C1CCCCCC1.
What is the InChIKey of 2-amino-3-[[(1R)-1-cycloheptylethyl]amino]propanamide?
The InChIKey is CLFRUDMNONDWGD-BFHBGLAWSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(15-8-11(13)12(14)16)10-6-4-2-3-5-7-10/h9-11,15H,2-8,13H2,1H3,(H2,14,16)/t9-,11?/m1/s1.
What are the key properties of 2-amino-3-[[(1R)-1-cycloheptylethyl]amino]propanamide?
2-amino-3-[[(1R)-1-cycloheptylethyl]amino]propanamide has a molecular weight of 227.35 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[(1R)-1-cycloheptylethyl]amino]propanamide is sourced from PubChem (CID 103257937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).