(2S)-2-(cycloheptylamino)propanamide

C10H20N2O — CID 93300220

IUPAC(2S)-2-(cycloheptylamino)propanamide
SMILESC[C@H](NC1CCCCCC1)C(N)=O
InChIInChI=1S/C10H20N2O/c1-8(10(11)13)12-9-6-4-2-3-5-7-9/h8-9,12H,2-7H2,1H3,(H2,11,13)/t8-/m0/s1
InChIKeyBHIPMYDOUFOGEL-QMMMGPOBSA-N
MW184.28 g/mol
LogP1.17
Rot. Bonds3

About (2S)-2-(cycloheptylamino)propanamide

(2S)-2-(cycloheptylamino)propanamide (PubChem CID 93300220) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is (2S)-2-(cycloheptylamino)propanamide.

Molecular Properties

Compound Name(2S)-2-(cycloheptylamino)propanamide
PubChem CID93300220
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name(2S)-2-(cycloheptylamino)propanamide
SMILESC[C@H](NC1CCCCCC1)C(N)=O
InChIInChI=1S/C10H20N2O/c1-8(10(11)13)12-9-6-4-2-3-5-7-9/h8-9,12H,2-7H2,1H3,(H2,11,13)/t8-/m0/s1
InChIKeyBHIPMYDOUFOGEL-QMMMGPOBSA-N
XLogP1.17
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(cyclopropylamino)propanamide
CID 28835909
(2S)-2-(cyclohexylamino)propanoic acid;(2S)-2-(cyclopentylamino)propanoic acid
CID 118008390
N-cyclohexyl-2-(cyclooctylamino)propanamide
CID 43083622
2-(cycloheptylamino)-N-cyclohexylpropanamide
CID 43236394
2-(cyclohexylamino)-N-cyclopentylpropanamide
CID 43083335
2-[(1,1-dioxothian-4-yl)amino]propanamide
CID 43545283
2-[(3-cyclopropylcyclohexyl)amino]propanamide
CID 64595045
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanamide
CID 43227053
ethyl 2-(cyclooctylamino)propanoate
CID 61498293
N-cyclopentyl-2-(cyclopropylamino)propanamide
CID 43083564
2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612
2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43236389

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cycloheptylamino)propanamide?
The IUPAC name of (2S)-2-(cycloheptylamino)propanamide (CID 93300220) is (2S)-2-(cycloheptylamino)propanamide.
What is the SMILES notation for (2S)-2-(cycloheptylamino)propanamide?
The canonical SMILES for (2S)-2-(cycloheptylamino)propanamide is C[C@H](NC1CCCCCC1)C(N)=O.
What is the InChIKey of (2S)-2-(cycloheptylamino)propanamide?
The InChIKey is BHIPMYDOUFOGEL-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(10(11)13)12-9-6-4-2-3-5-7-9/h8-9,12H,2-7H2,1H3,(H2,11,13)/t8-/m0/s1.
What are the key properties of (2S)-2-(cycloheptylamino)propanamide?
(2S)-2-(cycloheptylamino)propanamide has a molecular weight of 184.28 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cycloheptylamino)propanamide is sourced from PubChem (CID 93300220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).