2-(methoxycarbonylamino)acetic acid;1-methoxy-4-methylbenzene

C12H17NO5 — CID 142371209

IUPAC2-(methoxycarbonylamino)acetic acid;1-methoxy-4-methylbenzene
SMILESCOC(=O)NCC(=O)O.COc1ccc(C)cc1
InChIInChI=1S/C8H10O.C4H7NO4/c1-7-3-5-8(9-2)6-4-7;1-9-4(8)5-2-3(6)7/h3-6H,1-2H3;2H2,1H3,(H,5,8)(H,6,7)
InChIKeyUUPSBVVAQHWSID-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.43
Rot. Bonds3

About 2-(methoxycarbonylamino)acetic acid;1-methoxy-4-methylbenzene

2-(methoxycarbonylamino)acetic acid;1-methoxy-4-methylbenzene (PubChem CID 142371209) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(methoxycarbonylamino)acetic acid;1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-(methoxycarbonylamino)acetic acid;1-methoxy-4-methylbenzene
PubChem CID142371209
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC Name2-(methoxycarbonylamino)acetic acid;1-methoxy-4-methylbenzene
SMILESCOC(=O)NCC(=O)O.COc1ccc(C)cc1
InChIInChI=1S/C8H10O.C4H7NO4/c1-7-3-5-8(9-2)6-4-7;1-9-4(8)5-2-3(6)7/h3-6H,1-2H3;2H2,1H3,(H,5,8)(H,6,7)
InChIKeyUUPSBVVAQHWSID-UHFFFAOYSA-N
XLogP1.43
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
1-(113C)methoxy-4-methylbenzene
CID 166176950
2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(methoxycarbonylamino)acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 87757746
2-[3-(4-methoxyphenyl)prop-2-enoylamino]acetic acid
CID 3401706
2-[(4-bromophenoxy)carbonylamino]acetic acid
CID 82306718
methyl (E)-2-[(methoxycarbonylamino)methyl]-3-(4-methoxyphenyl)prop-2-enoate
CID 102356904
2-[[2-[3-(4-methylphenoxy)propanoylamino]acetyl]amino]acetic acid
CID 43387562
1-methoxy-4-methylbenzene;propane
CID 142064987
ethane;2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethanamine;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 144965448
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
[2-(4-methoxyanilino)-2-oxoethyl]carbamic acid
CID 67025275

Frequently Asked Questions

What is the IUPAC name of 2-(methoxycarbonylamino)acetic acid;1-methoxy-4-methylbenzene?
The IUPAC name of 2-(methoxycarbonylamino)acetic acid;1-methoxy-4-methylbenzene (CID 142371209) is 2-(methoxycarbonylamino)acetic acid;1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-(methoxycarbonylamino)acetic acid;1-methoxy-4-methylbenzene?
The canonical SMILES for 2-(methoxycarbonylamino)acetic acid;1-methoxy-4-methylbenzene is COC(=O)NCC(=O)O.COc1ccc(C)cc1.
What is the InChIKey of 2-(methoxycarbonylamino)acetic acid;1-methoxy-4-methylbenzene?
The InChIKey is UUPSBVVAQHWSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C4H7NO4/c1-7-3-5-8(9-2)6-4-7;1-9-4(8)5-2-3(6)7/h3-6H,1-2H3;2H2,1H3,(H,5,8)(H,6,7).
What are the key properties of 2-(methoxycarbonylamino)acetic acid;1-methoxy-4-methylbenzene?
2-(methoxycarbonylamino)acetic acid;1-methoxy-4-methylbenzene has a molecular weight of 255.27 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxycarbonylamino)acetic acid;1-methoxy-4-methylbenzene is sourced from PubChem (CID 142371209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).