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

C10H18N2O5 — CID 11470624

IUPAC(2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)NC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-7(13)5-4-6(11)8(14)15/h6H,4-5,11H2,1-3H3,(H,14,15)(H,12,13,16)/t6-/m0/s1
InChIKeyTXIQFAIGGLVOTR-LURJTMIESA-N
MW246.26 g/mol
LogP0.23
Rot. Bonds4

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

(2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid (PubChem CID 11470624) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
PubChem CID11470624
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)NC(=O)CC[C@H](N)C(=O)O
InChIInChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-7(13)5-4-6(11)8(14)15/h6H,4-5,11H2,1-3H3,(H,14,15)(H,12,13,16)/t6-/m0/s1
InChIKeyTXIQFAIGGLVOTR-LURJTMIESA-N
XLogP0.23
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-5-oxopentanoic acid
CID 170607216
(2R)-2-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 7016383
(2S)-2-amino-5-[[amino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]amino]pentanoic acid
CID 166132102
(2S)-2-aminopentanedioic acid;ditert-butyl carbonate;hydrochloride
CID 172690436
2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;ethane
CID 143611602
(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 71518773
(2S)-2-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 121233552
tert-butyl 2-amino-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-5-oxopentanoate
CID 59784079
2-amino-3-[[(Z)-2-carboxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethenyl]disulfanyl]propanoic acid
CID 163993084
tert-butyl 2-amino-5-oxo-5-(sulfanylamino)pentanoate
CID 91125306
2-amino-5-[(1-amino-2-methylpropan-2-yl)amino]-5-oxopentanoic acid
CID 87176174
(2S)-2-amino-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 6993184

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid (CID 11470624) is (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid is CC(C)(C)OC(=O)NC(=O)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid?
The InChIKey is TXIQFAIGGLVOTR-LURJTMIESA-N. The full InChI is InChI=1S/C10H18N2O5/c1-10(2,3)17-9(16)12-7(13)5-4-6(11)8(14)15/h6H,4-5,11H2,1-3H3,(H,14,15)(H,12,13,16)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid?
(2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid has a molecular weight of 246.26 g/mol, XLogP of 0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoic acid is sourced from PubChem (CID 11470624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).