2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid

C8H15NO5 — CID 66165028

IUPAC2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid
SMILESCC(C)COC(=O)NCC(O)C(=O)O
InChIInChI=1S/C8H15NO5/c1-5(2)4-14-8(13)9-3-6(10)7(11)12/h5-6,10H,3-4H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyAPNVIYWRTPVXHI-UHFFFAOYSA-N
MW205.21 g/mol
LogP-0.19
Rot. Bonds5

About 2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid

2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid (PubChem CID 66165028) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid
PubChem CID66165028
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid
SMILESCC(C)COC(=O)NCC(O)C(=O)O
InChIInChI=1S/C8H15NO5/c1-5(2)4-14-8(13)9-3-6(10)7(11)12/h5-6,10H,3-4H2,1-2H3,(H,9,13)(H,11,12)
InChIKeyAPNVIYWRTPVXHI-UHFFFAOYSA-N
XLogP-0.19
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl N-(2-hydroxypropyl)carbamate
CID 43427881
2-[(2-methylpropoxycarbonylamino)methyl]butanoic acid
CID 65223783
2-methylpropyl N-(2-amino-3-hydroxybutyl)carbamate
CID 64541260
2-methylpropyl N-(3-amino-2-methylpropyl)carbamate
CID 62665542
(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10899749
2-methylpropyl N-[6-(2-methylpropoxycarbonylamino)hexyl]carbamate
CID 91749295
2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
2-methylpropyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 115365837
(2S)-2-[[2-(2-methylpropoxycarbonylamino)acetyl]amino]propanoic acid
CID 142115980
2-methylpropyl N-(2-amino-3-phenylpropyl)carbamate
CID 90766727
2-methylpropyl N-[2-(methylamino)ethyl]carbamate
CID 62658921
2-methylpropyl N-(2,2-dimethylpropyl)carbamate
CID 88893905

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid?
The IUPAC name of 2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid (CID 66165028) is 2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid is CC(C)COC(=O)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid?
The InChIKey is APNVIYWRTPVXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-5(2)4-14-8(13)9-3-6(10)7(11)12/h5-6,10H,3-4H2,1-2H3,(H,9,13)(H,11,12).
What are the key properties of 2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid?
2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid has a molecular weight of 205.21 g/mol, XLogP of -0.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-methylpropoxycarbonylamino)propanoic acid is sourced from PubChem (CID 66165028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).