(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoate

C9H18N2O3 — CID 6992389

IUPAC(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoate
SMILESCC(C)C[C@@H](NC(=O)[C@@H](C)[NH3+])C(=O)[O-]
InChIInChI=1S/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7-/m1/s1
InChIKeyRDIKFPRVLJLMER-RNFRBKRXSA-N
MW202.25 g/mol
LogP-2.10
Rot. Bonds5

About (2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoate

(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoate (PubChem CID 6992389) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoate.

Molecular Properties

Compound Name(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoate
PubChem CID6992389
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoate
SMILESCC(C)C[C@@H](NC(=O)[C@@H](C)[NH3+])C(=O)[O-]
InChIInChI=1S/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7-/m1/s1
InChIKeyRDIKFPRVLJLMER-RNFRBKRXSA-N
XLogP-2.10
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-2.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoyl]amino]acetate
CID 6992447
(2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-sulfanylpropanoate
CID 155903251
(2S)-2-[[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino]-4-methylpentanoate
CID 7009565
2-[[2-[(2-azaniumyl-3-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoate
CID 23276218
(2S)-2-[[(2S)-2-azaniumyl-5-(diaminomethylideneazaniumyl)pentanoyl]amino]-4-methylpentanoate
CID 6992562
(2R)-4-methyl-2-(2-methylpropylcarbamoylamino)pentanoate
CID 7680380
(2S)-2-[[(2R)-butan-2-yl]carbamoylamino]-4-methylpentanoate
CID 7529479
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoate
CID 7017965
(2S)-2-[[(2S)-2-[[(2S)-2-azaniumyl-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoate
CID 7408572
2-[[2-[[2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoate
CID 23277487
(2S)-2-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]-3-phenylpropanoate
CID 6992311
(2S)-2-(cyclopentylcarbamoylamino)-4-methylpentanoate
CID 6956773

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoate?
The IUPAC name of (2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoate (CID 6992389) is (2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoate.
What is the SMILES notation for (2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoate?
The canonical SMILES for (2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoate is CC(C)C[C@@H](NC(=O)[C@@H](C)[NH3+])C(=O)[O-].
What is the InChIKey of (2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoate?
The InChIKey is RDIKFPRVLJLMER-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)/t6-,7-/m1/s1.
What are the key properties of (2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoate?
(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoate has a molecular weight of 202.25 g/mol, XLogP of -2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoate is sourced from PubChem (CID 6992389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).