2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid

C17H30N2O2 — CID 106806318

IUPAC2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid
SMILESCCC(CCCN(CC1CC1)C1CC1)(NC1CC1)C(=O)O
InChIInChI=1S/C17H30N2O2/c1-2-17(16(20)21,18-14-6-7-14)10-3-11-19(15-8-9-15)12-13-4-5-13/h13-15,18H,2-12H2,1H3,(H,20,21)
InChIKeyGCWXNZCSBIIKEV-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.63
Rot. Bonds11

About 2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid

2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid (PubChem CID 106806318) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid
PubChem CID106806318
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid
SMILESCCC(CCCN(CC1CC1)C1CC1)(NC1CC1)C(=O)O
InChIInChI=1S/C17H30N2O2/c1-2-17(16(20)21,18-14-6-7-14)10-3-11-19(15-8-9-15)12-13-4-5-13/h13-15,18H,2-12H2,1H3,(H,20,21)
InChIKeyGCWXNZCSBIIKEV-UHFFFAOYSA-N
XLogP2.63
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Cyclopropylamino)-2-methyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 61915320
2-(Cyclopropylamino)-5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methylpentanoic acid
CID 61916195
2-(Cyclopropylamino)-2-methyl-5-[propyl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 61916198
2-(Cyclopropylamino)-2-methyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 61918592
2-(Cyclopropylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanoic acid
CID 61918995
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 61918998
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)-2-methylpentanoic acid
CID 61919200
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 61919201
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 61919202
2-(Cyclopropylamino)-2-methyl-5-[methyl(3,3,3-trifluoropropyl)amino]pentanoic acid
CID 65531387
2-Ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoic acid
CID 106805881
2-(Cyclopropylamino)-2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 106805882

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid?
The IUPAC name of 2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid (CID 106806318) is 2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid is CCC(CCCN(CC1CC1)C1CC1)(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid?
The InChIKey is GCWXNZCSBIIKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-2-17(16(20)21,18-14-6-7-14)10-3-11-19(15-8-9-15)12-13-4-5-13/h13-15,18H,2-12H2,1H3,(H,20,21).
What are the key properties of 2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid?
2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid has a molecular weight of 294.44 g/mol, XLogP of 2.63, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-[cyclopropyl(cyclopropylmethyl)amino]-2-ethylpentanoic acid is sourced from PubChem (CID 106806318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).