2-cyclopropyl-2-(cyclopropylamino)acetic acid;2-cyclopropyl-2-(cyclopropylamino)acetonitrile

C16H25N3O2 — CID 161366805

IUPAC2-cyclopropyl-2-(cyclopropylamino)acetic acid;2-cyclopropyl-2-(cyclopropylamino)acetonitrile
SMILESN#CC(NC1CC1)C1CC1.O=C(O)C(NC1CC1)C1CC1
InChIInChI=1S/C8H12N2.C8H13NO2/c9-5-8(6-1-2-6)10-7-3-4-7;10-8(11)7(5-1-2-5)9-6-3-4-6/h6-8,10H,1-4H2;5-7,9H,1-4H2,(H,10,11)
InChIKeyVPXQGHVTGDRFLV-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.64
Rot. Bonds7

About 2-cyclopropyl-2-(cyclopropylamino)acetic acid;2-cyclopropyl-2-(cyclopropylamino)acetonitrile

2-cyclopropyl-2-(cyclopropylamino)acetic acid;2-cyclopropyl-2-(cyclopropylamino)acetonitrile (PubChem CID 161366805) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-cyclopropyl-2-(cyclopropylamino)acetic acid;2-cyclopropyl-2-(cyclopropylamino)acetonitrile.

Molecular Properties

Compound Name2-cyclopropyl-2-(cyclopropylamino)acetic acid;2-cyclopropyl-2-(cyclopropylamino)acetonitrile
PubChem CID161366805
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-cyclopropyl-2-(cyclopropylamino)acetic acid;2-cyclopropyl-2-(cyclopropylamino)acetonitrile
SMILESN#CC(NC1CC1)C1CC1.O=C(O)C(NC1CC1)C1CC1
InChIInChI=1S/C8H12N2.C8H13NO2/c9-5-8(6-1-2-6)10-7-3-4-7;10-8(11)7(5-1-2-5)9-6-3-4-6/h6-8,10H,1-4H2;5-7,9H,1-4H2,(H,10,11)
InChIKeyVPXQGHVTGDRFLV-UHFFFAOYSA-N
XLogP1.64
TPSA85.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[(4-propan-2-ylcyclohexyl)amino]acetic acid
CID 65061416
2-cyclohexyl-2-(cyclopropylamino)acetic acid
CID 43754546
2-cyclopropyl-2-(cyclopropylamino)acetonitrile;N,1-dicyclopropylethane-1,2-diamine
CID 158517031
2-cyclopropyl-2-[(4-propylcyclohexyl)amino]acetic acid
CID 65060463
2-cyclopropyl-2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]acetic acid
CID 65061467
N-[cyano(cyclopropyl)methyl]benzamide
CID 54594318
2-(4-tert-butylcyclohexyl)-2-(cycloheptylamino)acetonitrile
CID 104575521
2-cyclopropyl-2-[(3-methoxycyclobutyl)amino]acetic acid
CID 106824322
(2S)-2-cyclohexyl-2-(piperidin-4-ylamino)acetic acid;dihydrochloride
CID 68649857
2-cyclopropyl-2-[(1-methylpyrrolidin-3-yl)amino]acetic acid
CID 65059922
methyl 2-cyclopropyl-2-(cyclopropylamino)acetate
CID 61310174
N-[cyano(cyclopropyl)methyl]-2,2-difluoroacetamide
CID 103513774

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)acetic acid;2-cyclopropyl-2-(cyclopropylamino)acetonitrile?
The IUPAC name of 2-cyclopropyl-2-(cyclopropylamino)acetic acid;2-cyclopropyl-2-(cyclopropylamino)acetonitrile (CID 161366805) is 2-cyclopropyl-2-(cyclopropylamino)acetic acid;2-cyclopropyl-2-(cyclopropylamino)acetonitrile.
What is the SMILES notation for 2-cyclopropyl-2-(cyclopropylamino)acetic acid;2-cyclopropyl-2-(cyclopropylamino)acetonitrile?
The canonical SMILES for 2-cyclopropyl-2-(cyclopropylamino)acetic acid;2-cyclopropyl-2-(cyclopropylamino)acetonitrile is N#CC(NC1CC1)C1CC1.O=C(O)C(NC1CC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(cyclopropylamino)acetic acid;2-cyclopropyl-2-(cyclopropylamino)acetonitrile?
The InChIKey is VPXQGHVTGDRFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.C8H13NO2/c9-5-8(6-1-2-6)10-7-3-4-7;10-8(11)7(5-1-2-5)9-6-3-4-6/h6-8,10H,1-4H2;5-7,9H,1-4H2,(H,10,11).
What are the key properties of 2-cyclopropyl-2-(cyclopropylamino)acetic acid;2-cyclopropyl-2-(cyclopropylamino)acetonitrile?
2-cyclopropyl-2-(cyclopropylamino)acetic acid;2-cyclopropyl-2-(cyclopropylamino)acetonitrile has a molecular weight of 291.40 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(cyclopropylamino)acetic acid;2-cyclopropyl-2-(cyclopropylamino)acetonitrile is sourced from PubChem (CID 161366805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).