2-[2-methylpropyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]acetic acid

C14H26N2O4 — CID 119193019

IUPAC2-[2-methylpropyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CCCC(=O)NC(C)C
InChIInChI=1S/C14H26N2O4/c1-10(2)8-16(9-14(19)20)13(18)7-5-6-12(17)15-11(3)4/h10-11H,5-9H2,1-4H3,(H,15,17)(H,19,20)
InChIKeyRKVIOIWXDDXXNW-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.25
Rot. Bonds9

About 2-[2-methylpropyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]acetic acid

2-[2-methylpropyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]acetic acid (PubChem CID 119193019) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[2-methylpropyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]acetic acid
PubChem CID119193019
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[2-methylpropyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)CCCC(=O)NC(C)C
InChIInChI=1S/C14H26N2O4/c1-10(2)8-16(9-14(19)20)13(18)7-5-6-12(17)15-11(3)4/h10-11H,5-9H2,1-4H3,(H,15,17)(H,19,20)
InChIKeyRKVIOIWXDDXXNW-UHFFFAOYSA-N
XLogP1.25
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(diethylamino)-5-oxopentanoyl]-(2-methylpropyl)amino]acetic acid
CID 119193017
2-[2-methylpropyl-[4-(propan-2-ylamino)butanoyl]amino]acetic acid
CID 63064871
3-[ethyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]propanoic acid
CID 119191273
2-[2-methylpropyl(octanoyl)amino]acetic acid
CID 62032998
2-[2-methylpropyl(4-methylsulfanylbutanoyl)amino]acetic acid
CID 115909757
2-[3-methylbutanoyl(2-methylpropyl)amino]acetic acid
CID 62033717
2-[4-(cyclopropanecarbonylamino)butanoyl-(2-methylpropyl)amino]acetic acid
CID 119193420
2-[2-methylpropyl(4-phenoxybutanoyl)amino]acetic acid
CID 62033173
N,N'-di(propan-2-yl)decanediamide
CID 58997511
3-[2-methylpropyl(pentanoyl)amino]propanoic acid
CID 82323488
2-[4-[(4-chlorobenzoyl)amino]butanoyl-(2-methylpropyl)amino]acetic acid
CID 119193162
2-[2-methylpropyl-(2-methylsulfanylacetyl)amino]acetic acid
CID 62032636

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]acetic acid (CID 119193019) is 2-[2-methylpropyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)CCCC(=O)NC(C)C.
What is the InChIKey of 2-[2-methylpropyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]acetic acid?
The InChIKey is RKVIOIWXDDXXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10(2)8-16(9-14(19)20)13(18)7-5-6-12(17)15-11(3)4/h10-11H,5-9H2,1-4H3,(H,15,17)(H,19,20).
What are the key properties of 2-[2-methylpropyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]acetic acid?
2-[2-methylpropyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]acetic acid has a molecular weight of 286.37 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[5-oxo-5-(propan-2-ylamino)pentanoyl]amino]acetic acid is sourced from PubChem (CID 119193019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).