(4R)-5-methoxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

C13H25NO5 — CID 170910958

IUPAC(4R)-5-methoxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCOC[C@@H](CC(C)(C)C(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO5/c1-12(2,3)19-11(17)14-9(8-18-6)7-13(4,5)10(15)16/h9H,7-8H2,1-6H3,(H,14,17)(H,15,16)/t9-/m1/s1
InChIKeyLJTURICYTCMMDO-SECBINFHSA-N
MW275.35 g/mol
LogP2.03
Rot. Bonds6

About (4R)-5-methoxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

(4R)-5-methoxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (PubChem CID 170910958) has the molecular formula C13H25NO5 and a molecular weight of 275.35 g/mol. Its IUPAC name is (4R)-5-methoxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.

Molecular Properties

Compound Name(4R)-5-methoxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
PubChem CID170910958
Molecular FormulaC13H25NO5
Molecular Weight275.35 g/mol
Exact Mass275.17
IUPAC Name(4R)-5-methoxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCOC[C@@H](CC(C)(C)C(=O)O)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO5/c1-12(2,3)19-11(17)14-9(8-18-6)7-13(4,5)10(15)16/h9H,7-8H2,1-6H3,(H,14,17)(H,15,16)/t9-/m1/s1
InChIKeyLJTURICYTCMMDO-SECBINFHSA-N
XLogP2.03
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-5-methoxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid with MolForge

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Related Compounds

tert-butyl N-[(2S)-1-methoxybutan-2-yl]carbamate
CID 46941495
tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate
CID 53259998
tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate
CID 162715602
tert-butyl N-[(2S)-1-methoxy-6-(methylamino)hexan-2-yl]carbamate
CID 152912465
5-(4-fluorophenyl)-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 154959396
tert-butyl N-[1-(dimethylamino)-3-methoxy-1-oxopropan-2-yl]carbamate
CID 87494634
tert-butyl N-[(2R)-5-[tert-butyl(dimethyl)silyl]oxy-1-methoxypentan-2-yl]carbamate
CID 164575135
tert-butyl N-(1-hydroxy-5-methoxy-4,4-dimethylpentan-2-yl)carbamate
CID 72529602
tert-butyl N-[1-hydroxy-3-(methoxymethoxy)propan-2-yl]carbamate
CID 19691499
5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxopentanoic acid
CID 107507015
tert-butyl N-[(2R)-1-(2-methoxyethoxy)-3-(propan-2-ylamino)propan-2-yl]carbamate
CID 87420750
(2R)-2-[[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-sulfanylpropanoic acid
CID 175033628

Frequently Asked Questions

What is the IUPAC name of (4R)-5-methoxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The IUPAC name of (4R)-5-methoxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (CID 170910958) is (4R)-5-methoxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.
What is the SMILES notation for (4R)-5-methoxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The canonical SMILES for (4R)-5-methoxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is COC[C@@H](CC(C)(C)C(=O)O)NC(=O)OC(C)(C)C.
What is the InChIKey of (4R)-5-methoxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The InChIKey is LJTURICYTCMMDO-SECBINFHSA-N. The full InChI is InChI=1S/C13H25NO5/c1-12(2,3)19-11(17)14-9(8-18-6)7-13(4,5)10(15)16/h9H,7-8H2,1-6H3,(H,14,17)(H,15,16)/t9-/m1/s1.
What are the key properties of (4R)-5-methoxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
(4R)-5-methoxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-methoxy-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is sourced from PubChem (CID 170910958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).