(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

C10H20N2O4 — CID 7018784

IUPAC(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CCCN)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-10(2,3)16-9(15)12-7(8(13)14)5-4-6-11/h7H,4-6,11H2,1-3H3,(H,12,15)(H,13,14)/t7-/m0/s1
InChIKeyAMPVNPYPOOQUJF-ZETCQYMHSA-N
MW232.28 g/mol
LogP0.70
Rot. Bonds5

About (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (PubChem CID 7018784) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
PubChem CID7018784
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Name(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
SMILESCC(C)(C)OC(=O)N[C@@H](CCCN)C(=O)O
InChIInChI=1S/C10H20N2O4/c1-10(2,3)16-9(15)12-7(8(13)14)5-4-6-11/h7H,4-6,11H2,1-3H3,(H,12,15)(H,13,14)/t7-/m0/s1
InChIKeyAMPVNPYPOOQUJF-ZETCQYMHSA-N
XLogP0.70
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The IUPAC name of (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid (CID 7018784) is (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is CC(C)(C)OC(=O)N[C@@H](CCCN)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
The InChIKey is AMPVNPYPOOQUJF-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-10(2,3)16-9(15)12-7(8(13)14)5-4-6-11/h7H,4-6,11H2,1-3H3,(H,12,15)(H,13,14)/t7-/m0/s1.
What are the key properties of (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid?
(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid has a molecular weight of 232.28 g/mol, XLogP of 0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid is sourced from PubChem (CID 7018784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).