2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate

C13H23N2O5- — CID 7018767

IUPAC2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[O-]
InChIInChI=1S/C13H24N2O5/c1-8(2)6-9(11(18)14-7-10(16)17)15-12(19)20-13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,18)(H,15,19)(H,16,17)/p-1/t9-/m0/s1
InChIKeyNRXDUMDULDHIEA-VIFPVBQESA-M
MW287.34 g/mol
LogP-0.21
Rot. Bonds6

About 2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate

2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate (PubChem CID 7018767) has the molecular formula C13H23N2O5- and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate.

Molecular Properties

Compound Name2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate
PubChem CID7018767
Molecular FormulaC13H23N2O5-
Molecular Weight287.34 g/mol
Exact Mass287.16
IUPAC Name2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate
SMILESCC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[O-]
InChIInChI=1S/C13H24N2O5/c1-8(2)6-9(11(18)14-7-10(16)17)15-12(19)20-13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,18)(H,15,19)(H,16,17)/p-1/t9-/m0/s1
InChIKeyNRXDUMDULDHIEA-VIFPVBQESA-M
XLogP-0.21
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate with MolForge

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Related Compounds

tert-butyl N-[(2S)-1-(ethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 7038768
ethyl 2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate
CID 10041457
ethyl 2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate
CID 14236920
2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]acetate
CID 7014898
tert-butyl N-[(2S)-1-(dodecylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 135363955
tert-butyl N-[1-(methoxyamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 23388437
4-methyl-2-[[4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoic acid
CID 3243056
2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]acetic acid
CID 11072088
tert-butyl N-[(2S)-1-(1-hydroxypropan-2-ylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 101493965
2-[[(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoyl]amino]acetate
CID 6992447
tert-butyl N-[(2S)-1-[[(3S)-4-amino-3-hydroxybutyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
CID 86629834
tert-butyl N-[1-(cyclopropylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 24689176

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate?
The IUPAC name of 2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate (CID 7018767) is 2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate.
What is the SMILES notation for 2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate?
The canonical SMILES for 2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate is CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)[O-].
What is the InChIKey of 2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate?
The InChIKey is NRXDUMDULDHIEA-VIFPVBQESA-M. The full InChI is InChI=1S/C13H24N2O5/c1-8(2)6-9(11(18)14-7-10(16)17)15-12(19)20-13(3,4)5/h8-9H,6-7H2,1-5H3,(H,14,18)(H,15,19)(H,16,17)/p-1/t9-/m0/s1.
What are the key properties of 2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate?
2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate has a molecular weight of 287.34 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate is sourced from PubChem (CID 7018767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).