(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride

C11H23ClN2O4 — CID 71518773

IUPAC(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
SMILESCC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)O.Cl
InChIInChI=1S/C11H22N2O4.ClH/c1-11(2,3)17-10(16)13-7-5-4-6-8(12)9(14)15;/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15);1H/t8-;/m0./s1
InChIKeyXKFSZLUVTVWUPX-QRPNPIFTSA-N
MW282.77 g/mol
LogP1.52
Rot. Bonds6

About (2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride

(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride (PubChem CID 71518773) has the molecular formula C11H23ClN2O4 and a molecular weight of 282.77 g/mol. Its IUPAC name is (2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
PubChem CID71518773
Molecular FormulaC11H23ClN2O4
Molecular Weight282.77 g/mol
Exact Mass282.13
IUPAC Name(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
SMILESCC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)O.Cl
InChIInChI=1S/C11H22N2O4.ClH/c1-11(2,3)17-10(16)13-7-5-4-6-8(12)9(14)15;/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15);1H/t8-;/m0./s1
InChIKeyXKFSZLUVTVWUPX-QRPNPIFTSA-N
XLogP1.52
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;ethane
CID 143611602
(2S)-2-amino-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoic acid
CID 121233552
2-amino-6-(methoxycarbonylamino)hexanoic acid
CID 10899722
(2S)-2-amino-5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-5-oxopentanoic acid
CID 170607216
(2S)-2-amino-6-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoylamino]hexanoic acid
CID 178180120
tert-butyl N-(7,8-diamino-8-oxooctyl)carbamate
CID 87097822
tert-butyl N-[(5R)-5-aminohexyl]carbamate
CID 59986272
prop-2-enyl 2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate;hydrochloride
CID 91979202
bis(2-amino-6-(ethoxycarbonylamino)hexanoic acid);copper
CID 4305518
(2S)-2-hydroxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 10586563
tert-butyl N-[(5R)-5-amino-5-fluoropentyl]carbamate
CID 90126597
(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride
CID 141497187

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride (CID 71518773) is (2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride is CC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)O.Cl.
What is the InChIKey of (2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride?
The InChIKey is XKFSZLUVTVWUPX-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H22N2O4.ClH/c1-11(2,3)17-10(16)13-7-5-4-6-8(12)9(14)15;/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15);1H/t8-;/m0./s1.
What are the key properties of (2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride?
(2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride has a molecular weight of 282.77 g/mol, XLogP of 1.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid;hydrochloride is sourced from PubChem (CID 71518773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).