methyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride

C10H19ClN2O3 — CID 119781285

IUPACmethyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride
SMILESCOC(=O)[C@@H](C)NC(=O)CNCC1CC1.Cl
InChIInChI=1S/C10H18N2O3.ClH/c1-7(10(14)15-2)12-9(13)6-11-5-8-3-4-8;/h7-8,11H,3-6H2,1-2H3,(H,12,13);1H/t7-;/m1./s1
InChIKeyNAVVMFXBIVYAMC-OGFXRTJISA-N
MW250.73 g/mol
LogP0.09
Rot. Bonds6

About methyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride

methyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride (PubChem CID 119781285) has the molecular formula C10H19ClN2O3 and a molecular weight of 250.73 g/mol. Its IUPAC name is methyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride
PubChem CID119781285
Molecular FormulaC10H19ClN2O3
Molecular Weight250.73 g/mol
Exact Mass250.11
IUPAC Namemethyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride
SMILESCOC(=O)[C@@H](C)NC(=O)CNCC1CC1.Cl
InChIInChI=1S/C10H18N2O3.ClH/c1-7(10(14)15-2)12-9(13)6-11-5-8-3-4-8;/h7-8,11H,3-6H2,1-2H3,(H,12,13);1H/t7-;/m1./s1
InChIKeyNAVVMFXBIVYAMC-OGFXRTJISA-N
XLogP0.09
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[2-(cyclopropylmethylamino)acetyl]amino]butanoate
CID 119709040
methyl 2-[[2-(cyclopropylamino)acetyl]amino]propanoate
CID 60687311
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
N-butan-2-yl-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanamide
CID 119756291
2-(cyclopropylmethylamino)-N-(1-hydroxypropan-2-yl)acetamide
CID 60841587
2-(cyclopropylmethylamino)-N-(4-methoxybutan-2-yl)acetamide
CID 64606071
2-[[2-(cyclopropylmethylamino)acetyl]amino]-3,3-dimethylbutanamide
CID 119778156
methyl 2-(cyclopropylmethylamino)propanoate
CID 60780744
N-(1-amino-4-methylpentan-2-yl)-2-(cyclopropylmethylamino)acetamide
CID 122080607
2-[(4-hydroxycyclohexyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 106133186
methyl 2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]propanoate
CID 79527045
2-(cyclopropylmethylamino)-N-(1-ethoxy-3-methylbutan-2-yl)acetamide
CID 114113785

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride (CID 119781285) is methyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride is COC(=O)[C@@H](C)NC(=O)CNCC1CC1.Cl.
What is the InChIKey of methyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride?
The InChIKey is NAVVMFXBIVYAMC-OGFXRTJISA-N. The full InChI is InChI=1S/C10H18N2O3.ClH/c1-7(10(14)15-2)12-9(13)6-11-5-8-3-4-8;/h7-8,11H,3-6H2,1-2H3,(H,12,13);1H/t7-;/m1./s1.
What are the key properties of methyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride?
methyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride has a molecular weight of 250.73 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[[2-(cyclopropylmethylamino)acetyl]amino]propanoate;hydrochloride is sourced from PubChem (CID 119781285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).