2-amino-2-(difluoromethyl)-5-(2-propylpentanoylamino)pentanoic acid;hydrochloride

C14H27ClF2N2O3 — CID 162377034

IUPAC2-amino-2-(difluoromethyl)-5-(2-propylpentanoylamino)pentanoic acid;hydrochloride
SMILESCCCC(CCC)C(=O)NCCCC(N)(C(=O)O)C(F)F.Cl
InChIInChI=1S/C14H26F2N2O3.ClH/c1-3-6-10(7-4-2)11(19)18-9-5-8-14(17,12(15)16)13(20)21;/h10,12H,3-9,17H2,1-2H3,(H,18,19)(H,20,21);1H
InChIKeyOXZFPWDRSFJKNG-UHFFFAOYSA-N
MW344.83 g/mol
LogP2.57
Rot. Bonds11

About 2-amino-2-(difluoromethyl)-5-(2-propylpentanoylamino)pentanoic acid;hydrochloride

2-amino-2-(difluoromethyl)-5-(2-propylpentanoylamino)pentanoic acid;hydrochloride (PubChem CID 162377034) has the molecular formula C14H27ClF2N2O3 and a molecular weight of 344.83 g/mol. Its IUPAC name is 2-amino-2-(difluoromethyl)-5-(2-propylpentanoylamino)pentanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(difluoromethyl)-5-(2-propylpentanoylamino)pentanoic acid;hydrochloride
PubChem CID162377034
Molecular FormulaC14H27ClF2N2O3
Molecular Weight344.83 g/mol
Exact Mass344.17
IUPAC Name2-amino-2-(difluoromethyl)-5-(2-propylpentanoylamino)pentanoic acid;hydrochloride
SMILESCCCC(CCC)C(=O)NCCCC(N)(C(=O)O)C(F)F.Cl
InChIInChI=1S/C14H26F2N2O3.ClH/c1-3-6-10(7-4-2)11(19)18-9-5-8-14(17,12(15)16)13(20)21;/h10,12H,3-9,17H2,1-2H3,(H,18,19)(H,20,21);1H
InChIKeyOXZFPWDRSFJKNG-UHFFFAOYSA-N
XLogP2.57
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(difluoromethyl)-5-(tetradecanoylamino)pentanoic acid
CID 22234735
2,5-diamino-2-(difluoromethyl)pentanoic acid
CID 3009
2-amino-2-(difluoromethyl)-5-(1-hexadecanoyloxyethoxycarbonylamino)pentanoic acid
CID 139451311
2-amino-2-(difluoromethyl)-5-[1-(2,2-dimethylpropanoyloxy)ethoxycarbonylamino]pentanoic acid
CID 122624779
2-amino-6-(2-propylpentanoylamino)hexanoic acid
CID 164728968
7-(2-propylpentanoylamino)heptanoic acid
CID 82985548
(2R)-2-amino-2-(difluoromethyl)pentanedioic acid
CID 175133847
2-amino-2-(difluoromethyl)-5-(3,7,11-trimethyldodeca-2,6,10-trienoxycarbonylamino)pentanoic acid
CID 72958397
2-ethyl-N-undecylpentanamide
CID 160695439
N-octadecyl-2-octylicosanamide
CID 154636535
(2R)-2-amino-N-butylpentanamide
CID 82668431
N-(3-amino-2,2-dimethylpropyl)-2-propylpentanamide
CID 82987576

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(difluoromethyl)-5-(2-propylpentanoylamino)pentanoic acid;hydrochloride?
The IUPAC name of 2-amino-2-(difluoromethyl)-5-(2-propylpentanoylamino)pentanoic acid;hydrochloride (CID 162377034) is 2-amino-2-(difluoromethyl)-5-(2-propylpentanoylamino)pentanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-(difluoromethyl)-5-(2-propylpentanoylamino)pentanoic acid;hydrochloride?
The canonical SMILES for 2-amino-2-(difluoromethyl)-5-(2-propylpentanoylamino)pentanoic acid;hydrochloride is CCCC(CCC)C(=O)NCCCC(N)(C(=O)O)C(F)F.Cl.
What is the InChIKey of 2-amino-2-(difluoromethyl)-5-(2-propylpentanoylamino)pentanoic acid;hydrochloride?
The InChIKey is OXZFPWDRSFJKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O3.ClH/c1-3-6-10(7-4-2)11(19)18-9-5-8-14(17,12(15)16)13(20)21;/h10,12H,3-9,17H2,1-2H3,(H,18,19)(H,20,21);1H.
What are the key properties of 2-amino-2-(difluoromethyl)-5-(2-propylpentanoylamino)pentanoic acid;hydrochloride?
2-amino-2-(difluoromethyl)-5-(2-propylpentanoylamino)pentanoic acid;hydrochloride has a molecular weight of 344.83 g/mol, XLogP of 2.57, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(difluoromethyl)-5-(2-propylpentanoylamino)pentanoic acid;hydrochloride is sourced from PubChem (CID 162377034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).