2-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate

C15H19N2O5- — CID 7005168

IUPAC2-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate
SMILESCC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)[O-]
InChIInChI=1S/C15H20N2O5/c1-10(2)13(14(20)16-8-12(18)19)17-15(21)22-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,16,20)(H,17,21)(H,18,19)/p-1/t13-/m1/s1
InChIKeyMWOJWUBBCZRMTB-CYBMUJFWSA-M
MW307.33 g/mol
LogP-0.20
Rot. Bonds7

About 2-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate

2-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate (PubChem CID 7005168) has the molecular formula C15H19N2O5- and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate.

Molecular Properties

Compound Name2-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate
PubChem CID7005168
Molecular FormulaC15H19N2O5-
Molecular Weight307.33 g/mol
Exact Mass307.13
IUPAC Name2-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate
SMILESCC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)[O-]
InChIInChI=1S/C15H20N2O5/c1-10(2)13(14(20)16-8-12(18)19)17-15(21)22-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,16,20)(H,17,21)(H,18,19)/p-1/t13-/m1/s1
InChIKeyMWOJWUBBCZRMTB-CYBMUJFWSA-M
XLogP-0.20
TPSA107.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(2S)-3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]carbamate
CID 167089233
2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]ethanimidate
CID 169191617
benzyl N-[(2S)-1-(methoxymethylamino)-3-methyl-1-oxobutan-2-yl]carbamate
CID 67325886
2-[[2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetyl]amino]acetic acid
CID 70914794
benzyl N-[(2S)-3-methyl-1-[7-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]heptylamino]-1-oxobutan-2-yl]carbamate
CID 71491088
benzyl N-[(2S)-3-methyl-1-[8-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]octylamino]-1-oxobutan-2-yl]carbamate
CID 71491089
benzyl (2S)-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoate
CID 15929373
benzyl N-[(2S)-3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]carbamate
CID 70701209
tert-butyl 2-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoyl]amino]acetate
CID 10412070
(2S)-2-[[2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetyl]amino]-3-phenylpropanoic acid
CID 101112207
butane;methyl 2-[[3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate;molecular hydrogen
CID 169191947
(2S)-3-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoic acid
CID 7019129

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate?
The IUPAC name of 2-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate (CID 7005168) is 2-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate.
What is the SMILES notation for 2-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate?
The canonical SMILES for 2-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate is CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)[O-].
What is the InChIKey of 2-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate?
The InChIKey is MWOJWUBBCZRMTB-CYBMUJFWSA-M. The full InChI is InChI=1S/C15H20N2O5/c1-10(2)13(14(20)16-8-12(18)19)17-15(21)22-9-11-6-4-3-5-7-11/h3-7,10,13H,8-9H2,1-2H3,(H,16,20)(H,17,21)(H,18,19)/p-1/t13-/m1/s1.
What are the key properties of 2-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate?
2-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate has a molecular weight of 307.33 g/mol, XLogP of -0.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate is sourced from PubChem (CID 7005168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).